N-[(3,4-dimethoxyphenyl)methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: 3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-veratryl-propionamide Formula: C18H20N4O3S2 MolecularWeight: 404.5064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CCN2C(=NNC2=S)C3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CCN2C(=NNC2=S)C3=CC=CS3)OC

InChI

InChI=1S/C18H20N4O3S2/c1-24-13-6-5-12(10-14(13)25-2)11-19-16(23)7-8-22-17(20-21-18(22)26)15-4-3-9-27-15/h3-6,9-10H,7-8,11H2,1-2H3,(H,19,23)(H,21,26)