2-{[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(pyridin-3-yl)ethylidene]acetohydrazide

2-{[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(pyridin-3-yl)ethylidene]acetohydrazide

Formula: C20H22N6O2S

SMILES: CCN1C(SCC(=O)NN=C(/C)C2=CC=CN=C2)=NN=C1C1=CC=C(OC)C=C1

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

InChI: InChI=1S/C20H22N6O2S/c1-4-26-19(15-7-9-17(28-3)10-8-15)24-25-20(26)29-13-18(27)23-22-14(2)16-6-5-11-21-12-16/h5-12H,4,13H2,1-3H3,(H,23,27)/b22-14+

Composition: C (58.52%), H (5.40%), N (20.47%), O (7.79%), S (7.81%)

Molar Mass: 410.5

Atom Count: 51

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	410.152495146
Formal Charge	0
FSP3	0.25
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	KNBCXMDNHJMXTR-HYARGMPZSA-N
Lipinski's Rule of Five	1
Molar Refractivity	125.49
Topological Polar Surface Area	94.29
Polarizability	43.71
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H22N6O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00