2-[(Z)-[3-(2-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate

Systemtic Name: 2-[(Z)-[3-(2-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate Openeye Name: 2-[(Z)-[3-(2-bromophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate CAS Name: 2-[(Z)-[3-(2-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate IUPAC Name: 2-[(Z)-[3-(2-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate Traditional Name: 2-[(Z)-[3-(2-bromophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate Formula: C16H10BrN4O2S- MolecularWeight: 402.2452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=NN2C(=NNC2=S)C3=CC=CC=C3Br)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)/C=N\N2C(=NNC2=S)C3=CC=CC=C3Br)C(=O)[O-]

InChI

InChI=1S/C16H11BrN4O2S/c17-13-8-4-3-7-12(13)14-19-20-16(24)21(14)18-9-10-5-1-2-6-11(10)15(22)23/h1-9H,(H,20,24)(H,22,23)/p-1/b18-9-