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

Systemtic Name: N-methyl-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(4-piperidin-1-ylphenyl)methyl]propanamide Openeye Name: N-methyl-N-[[4-(1-piperidyl)phenyl]methyl]-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-methyl-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[[4-(1-piperidinyl)phenyl]methyl]propanamide IUPAC Name: N-methyl-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(4-piperidin-1-ylphenyl)methyl]propanamide Traditional Name: N-methyl-N-(4-piperidinobenzyl)-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C25H31N5OS MolecularWeight: 449.61154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N(C)CC3=CC=C(C=C3)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N(C)CC3=CC=C(C=C3)N4CCCCC4

InChI

InChI=1S/C25H31N5OS/c1-19-6-10-21(11-7-19)24-26-27-25(32)30(24)17-14-23(31)28(2)18-20-8-12-22(13-9-20)29-15-4-3-5-16-29/h6-13H,3-5,14-18H2,1-2H3,(H,27,32)