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

Systemtic Name: methyl 1-[[3-methyl-4-(3-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate Openeye Name: methyl 1-[[3-methyl-4-(m-tolyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[3-methyl-4-(3-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[[3-methyl-4-(3-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[3-methyl-4-(m-tolyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]isonipecotic acid methyl ester Formula: C18H24N4O2S MolecularWeight: 360.47376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN(C2=S)CN3CCC(CC3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN(C2=S)CN3CCC(CC3)C(=O)OC)C

InChI

InChI=1S/C18H24N4O2S/c1-13-5-4-6-16(11-13)22-14(2)19-21(18(22)25)12-20-9-7-15(8-10-20)17(23)24-3/h4-6,11,15H,7-10,12H2,1-3H3