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

Systemtic Name: N-methyl-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamide Openeye Name: N-methyl-2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide CAS Name: N-methyl-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[[2-(1-pyrrolidinyl)phenyl]methyl]acetamide IUPAC Name: N-methyl-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide Traditional Name: N-methyl-2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(2-pyrrolidinobenzyl)acetamide Formula: C23H27N5OS MolecularWeight: 421.55838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)N(C)CC3=CC=CC=C3N4CCCC4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)N(C)CC3=CC=CC=C3N4CCCC4

InChI

InChI=1S/C23H27N5OS/c1-17-8-7-10-18(14-17)22-24-25-23(30)28(22)16-21(29)26(2)15-19-9-3-4-11-20(19)27-12-5-6-13-27/h3-4,7-11,14H,5-6,12-13,15-16H2,1-2H3,(H,25,30)