1-[[4-(2-propan-2-ylphenyl)-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxamide

Systemtic Name: 1-[[4-(2-propan-2-ylphenyl)-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxamide Openeye Name: 1-[[4-(2-isopropylphenyl)-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxamide CAS Name: 1-[[4-(2-propan-2-ylphenyl)-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-[[4-(2-propan-2-ylphenyl)-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxamide Traditional Name: 1-[[4-o-cumenyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]isonipecotamide Formula: C23H28N6OS MolecularWeight: 436.57302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=NN(C2=S)CN3CCC(CC3)C(=O)N)C4=CN=CC=C4

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=NN(C2=S)CN3CCC(CC3)C(=O)N)C4=CN=CC=C4

InChI

InChI=1S/C23H28N6OS/c1-16(2)19-7-3-4-8-20(19)29-22(18-6-5-11-25-14-18)26-28(23(29)31)15-27-12-9-17(10-13-27)21(24)30/h3-8,11,14,16-17H,9-10,12-13,15H2,1-2H3,(H2,24,30)