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

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

Formula: C23H18ClN5O3S

SMILES: OC1=CC=C(C=NNC(=O)CSC2=NN=C(N2C2=CC=CC=C2)C2=CC=C(Cl)C=C2)C=C1O

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

InChI: InChI=1S/C23H18ClN5O3S/c24-17-9-7-16(8-10-17)22-27-28-23(29(22)18-4-2-1-3-5-18)33-14-21(32)26-25-13-15-6-11-19(30)20(31)12-15/h1-13,30-31H,14H2,(H,26,32)/b25-13+

Composition: C (57.56%), H (3.78%), Cl (7.39%), N (14.59%), O (10.00%), S (6.68%)

Molar Mass: 479.94

Atom Count: 51

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	479.0818883
Formal Charge	0
FSP3	0.04
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
InChIKey	ODUALPOOXDHRHL-DHRITJCHSA-N
Lipinski's Rule of Five	1
Molar Refractivity	151.48
Topological Polar Surface Area	112.63
Polarizability	50
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H18ClN5O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00