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

Systemtic Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-piperidin-1-ylcarbonylpiperidin-1-yl)propan-1-one Openeye Name: 3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-1-[4-(piperidine-1-carbonyl)-1-piperidyl]propan-1-one CAS Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-[4-[oxo(1-piperidinyl)methyl]-1-piperidinyl]-1-propanone IUPAC Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one Traditional Name: 3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-1-[4-(piperidine-1-carbonyl)piperidino]propan-1-one Formula: C23H31N5O2S MolecularWeight: 441.58954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)N3CCC(CC3)C(=O)N4CCCCC4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)N3CCC(CC3)C(=O)N4CCCCC4

InChI

InChI=1S/C23H31N5O2S/c1-17-6-5-7-19(16-17)21-24-25-23(31)28(21)15-10-20(29)26-13-8-18(9-14-26)22(30)27-11-3-2-4-12-27/h5-7,16,18H,2-4,8-15H2,1H3,(H,25,31)