3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(6-methoxypyridin-3-yl)propanamide

Systemtic Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(6-methoxypyridin-3-yl)propanamide Openeye Name: 3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(6-methoxy-3-pyridyl)propanamide CAS Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(6-methoxy-3-pyridinyl)propanamide IUPAC Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(6-methoxypyridin-3-yl)propanamide Traditional Name: N-(6-methoxy-3-pyridyl)-3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)propionamide Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC3=CN=C(C=C3)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC3=CN=C(C=C3)OC

InChI

InChI=1S/C19H21N5O3S/c1-3-27-15-7-4-13(5-8-15)18-22-23-19(28)24(18)11-10-16(25)21-14-6-9-17(26-2)20-12-14/h4-9,12H,3,10-11H2,1-2H3,(H,21,25)(H,23,28)