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

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

Formula: C22H24ClN5O4S

SMILES: CCN1C(SCC(=O)NN=CC2=CC(OC)=C(OC)C=C2OC)=NN=C1C1=CC=C(Cl)C=C1

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

InChI: InChI=1S/C22H24ClN5O4S/c1-5-28-21(14-6-8-16(23)9-7-14)26-27-22(28)33-13-20(29)25-24-12-15-10-18(31-3)19(32-4)11-17(15)30-2/h6-12H,5,13H2,1-4H3,(H,25,29)/b24-12+

Composition: C (53.93%), H (4.94%), Cl (7.24%), N (14.29%), O (13.06%), S (6.54%)

Molar Mass: 489.98

Atom Count: 57

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	489.1237531
Formal Charge	0
FSP3	0.27
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
InChIKey	PTTQHUXNOTVKQB-WYMPLXKRSA-N
Lipinski's Rule of Five	1
Molar Refractivity	141.56
Topological Polar Surface Area	99.86
Polarizability	49.72
Ring Count	3
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H24ClN5O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00