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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CNC(=O)CCN2C(=NNC2=S)C3=CC=CS3

Isomeric SMILES

COC1=CC=CC(=C1OC)CNC(=O)CCN2C(=NNC2=S)C3=CC=CS3

InChI

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