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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-homoveratryl-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C19H22N4O3S2 MolecularWeight: 418.53298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O3S2/c1-25-14-6-5-13(12-15(14)26-2)7-9-20-17(24)8-10-23-18(21-22-19(23)27)16-4-3-11-28-16/h3-6,11-12H,7-10H2,1-2H3,(H,20,24)(H,22,27)