2-[3-(3-bromophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-1,2-diphenyl-ethanone

Systemtic Name: 2-[3-(3-bromophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-1,2-diphenyl-ethanone Openeye Name: 2-[3-(3-bromophenyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]-1,2-diphenyl-ethanone CAS Name: 2-[3-(3-bromophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-1,2-diphenylethanone IUPAC Name: 2-[3-(3-bromophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-1,2-diphenylethanone Traditional Name: 2-[3-(3-bromophenyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]-1,2-diphenyl-ethanone Formula: C28H20BrN3OS MolecularWeight: 526.4469

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)N3C(=S)N(C(=N3)C4=CC(=CC=C4)Br)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)N3C(=S)N(C(=N3)C4=CC(=CC=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C28H20BrN3OS/c29-23-16-10-15-22(19-23)27-30-32(28(34)31(27)24-17-8-3-9-18-24)25(20-11-4-1-5-12-20)26(33)21-13-6-2-7-14-21/h1-19,25H