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

Systemtic Name: ethyl 4-[[5-(4-bromophenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[5-(4-bromophenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[5-(4-bromophenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-(4-bromophenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[5-(4-bromophenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H20BrN5O2S MolecularWeight: 426.3313

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrN5O2S/c1-2-24-16(23)21-9-7-20(8-10-21)11-22-15(25)18-14(19-22)12-3-5-13(17)6-4-12/h3-6H,2,7-11H2,1H3,(H,18,19,25)