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2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(5-methylthiophen-2-yl)methylidene]acetohydrazide

2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(5-methylthiophen-2-yl)methylidene]acetohydrazide

Formula: C24H23N5O3S2

SMILES: COC1=CC=C(C=C1OC)C1=NN=C(SCC(=O)NN=CC2=CC=C(C)S2)N1C1=CC=CC=C1

IUPAC: 2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(5-methylthiophen-2-yl)methylidene]acetohydrazide

InChI: InChI=1S/C24H23N5O3S2/c1-16-9-11-19(34-16)14-25-26-22(30)15-33-24-28-27-23(29(24)18-7-5-4-6-8-18)17-10-12-20(31-2)21(13-17)32-3/h4-14H,15H2,1-3H3,(H,26,30)/b25-14+

Composition: C (58.40%), H (4.70%), N (14.19%), O (9.72%), S (12.99%)

Molar Mass: 493.6

Atom Count: 57

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 493.124231969
Formal Charge 0
FSP3 0.17
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey ALWMRUFUSKOEGY-AFUMVMLFSA-N
Lipinski's Rule of Five 1
Molar Refractivity 157.58
Topological Polar Surface Area 90.63
Polarizability 52.37
Ring Count 4
Rotatable Bond Count 9

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C24H23N5O3S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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