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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2=NNC(=S)N2N=CC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2=NNC(=S)N2/N=C\C3=CC=C(C=C3)C(=O)[O-]

InChI

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