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

Systemtic Name: ethyl 4-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[5-(p-tolyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[5-(p-tolyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H23N5O2S MolecularWeight: 361.46182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CN2C(=S)N=C(N2)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CN2C(=S)N=C(N2)C3=CC=C(C=C3)C

InChI

InChI=1S/C17H23N5O2S/c1-3-24-17(23)21-10-8-20(9-11-21)12-22-16(25)18-15(19-22)14-6-4-13(2)5-7-14/h4-7H,3,8-12H2,1-2H3,(H,18,19,25)