3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(1-pyridin-4-ylcarbonylpiperidin-4-yl)propanamide

Systemtic Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(1-pyridin-4-ylcarbonylpiperidin-4-yl)propanamide Openeye Name: 3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[1-(pyridine-4-carbonyl)-4-piperidyl]propanamide CAS Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[1-[oxo(pyridin-4-yl)methyl]-4-piperidinyl]propanamide IUPAC Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide Traditional Name: N-(1-isonicotinoyl-4-piperidyl)-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C23H26N6O2S MolecularWeight: 450.55654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC3CCN(CC3)C(=O)C4=CC=NC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC3CCN(CC3)C(=O)C4=CC=NC=C4

InChI

InChI=1S/C23H26N6O2S/c1-16-2-4-17(5-3-16)21-26-27-23(32)29(21)15-10-20(30)25-19-8-13-28(14-9-19)22(31)18-6-11-24-12-7-18/h2-7,11-12,19H,8-10,13-15H2,1H3,(H,25,30)(H,27,32)