2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(2-pyrrol-1-ylthiophen-3-yl)methyl]ethanamide

Systemtic Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(2-pyrrol-1-ylthiophen-3-yl)methyl]ethanamide Openeye Name: 2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[(2-pyrrol-1-yl-3-thienyl)methyl]acetamide CAS Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[[2-(1-pyrrolyl)-3-thiophenyl]methyl]acetamide IUPAC Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(2-pyrrol-1-ylthiophen-3-yl)methyl]acetamide Traditional Name: 2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[(2-pyrrol-1-yl-3-thienyl)methyl]acetamide Formula: C20H19N5OS2 MolecularWeight: 409.52776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)NCC3=C(SC=C3)N4C=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)NCC3=C(SC=C3)N4C=CC=C4

InChI

InChI=1S/C20H19N5OS2/c1-14-5-4-6-15(11-14)18-22-23-20(27)25(18)13-17(26)21-12-16-7-10-28-19(16)24-8-2-3-9-24/h2-11H,12-13H2,1H3,(H,21,26)(H,23,27)