methyl 1-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperidine-4-carboxylate Openeye Name: methyl 1-[[5-(p-tolyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[5-(p-tolyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]isonipecotic acid methyl ester Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCC(CC3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCC(CC3)C(=O)OC

InChI

InChI=1S/C17H22N4O2S/c1-12-3-5-13(6-4-12)15-18-17(24)21(19-15)11-20-9-7-14(8-10-20)16(22)23-2/h3-6,14H,7-11H2,1-2H3,(H,18,19,24)