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

Systemtic Name: 4-[3-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoate Openeye Name: 4-[3-(4-bromophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoate CAS Name: 4-[3-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoate IUPAC Name: 4-[3-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoate Traditional Name: 4-[3-(4-bromophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoate Formula: C15H9BrN3O2S- MolecularWeight: 375.21986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NNC(=S)N2C3=CC=C(C=C3)C(=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1C2=NNC(=S)N2C3=CC=C(C=C3)C(=O)[O-])Br

InChI

InChI=1S/C15H10BrN3O2S/c16-11-5-1-9(2-6-11)13-17-18-15(22)19(13)12-7-3-10(4-8-12)14(20)21/h1-8H,(H,18,22)(H,20,21)/p-1