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

Systemtic Name: methyl 1-[[5-(2-bromophenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperidine-4-carboxylate Openeye Name: methyl 1-[[5-(2-bromophenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[5-(2-bromophenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[[5-(2-bromophenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[5-(2-bromophenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]isonipecotic acid methyl ester Formula: C16H19BrN4O2S MolecularWeight: 411.31666

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)CN2C(=S)N=C(N2)C3=CC=CC=C3Br

Isomeric SMILES

COC(=O)C1CCN(CC1)CN2C(=S)N=C(N2)C3=CC=CC=C3Br

InChI

InChI=1S/C16H19BrN4O2S/c1-23-15(22)11-6-8-20(9-7-11)10-21-16(24)18-14(19-21)12-4-2-3-5-13(12)17/h2-5,11H,6-10H2,1H3,(H,18,19,24)