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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC3=C(C=C(C=C3)N4CCCC4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC3=C(C=C(C=C3)N4CCCC4)C

InChI

InChI=1S/C23H27N5OS/c1-16-5-7-18(8-6-16)22-25-26-23(30)28(22)14-11-21(29)24-20-10-9-19(15-17(20)2)27-12-3-4-13-27/h5-10,15H,3-4,11-14H2,1-2H3,(H,24,29)(H,26,30)