3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-phenylpiperidin-1-yl)propan-1-one

Systemtic Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-phenylpiperidin-1-yl)propan-1-one Openeye Name: 1-(4-phenyl-1-piperidyl)-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one CAS Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-phenyl-1-piperidinyl)-1-propanone IUPAC Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-phenylpiperidin-1-yl)propan-1-one Traditional Name: 1-(4-phenylpiperidino)-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one Formula: C23H26N4OS MolecularWeight: 406.54374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N3CCC(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N3CCC(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4OS/c1-17-7-9-20(10-8-17)22-24-25-23(29)27(22)16-13-21(28)26-14-11-19(12-15-26)18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3,(H,25,29)