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

Systemtic Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-pyridin-4-ylcarbonylpiperazin-1-yl)propan-1-one Openeye Name: 3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]propan-1-one CAS Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-[4-[oxo(pyridin-4-yl)methyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]propan-1-one Traditional Name: 1-(4-isonicotinoylpiperazino)-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one Formula: C22H24N6O2S MolecularWeight: 436.52996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N3CCN(CC3)C(=O)C4=CC=NC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N3CCN(CC3)C(=O)C4=CC=NC=C4

InChI

InChI=1S/C22H24N6O2S/c1-16-2-4-17(5-3-16)20-24-25-22(31)28(20)11-8-19(29)26-12-14-27(15-13-26)21(30)18-6-9-23-10-7-18/h2-7,9-10H,8,11-15H2,1H3,(H,25,31)