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

Systemtic Name: ethyl 4-[[3-(3-bromophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[3-(3-bromophenyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[3-(3-bromophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-(3-bromophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[3-(3-bromophenyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H24BrN5O2S MolecularWeight: 502.42726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC(=CC=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC(=CC=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C22H24BrN5O2S/c1-2-30-22(29)26-13-11-25(12-14-26)16-27-21(31)28(19-9-4-3-5-10-19)20(24-27)17-7-6-8-18(23)15-17/h3-10,15H,2,11-14,16H2,1H3