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

Systemtic Name: 2-[3-(4-bromophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-1-phenyl-ethanone Openeye Name: 2-[3-(4-bromophenyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]-1-phenyl-ethanone CAS Name: 2-[3-(4-bromophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-1-phenylethanone IUPAC Name: 2-[3-(4-bromophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-1-phenylethanone Traditional Name: 2-[3-(4-bromophenyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]-1-phenyl-ethanone Formula: C22H16BrN3OS MolecularWeight: 450.35094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C22H16BrN3OS/c23-18-13-11-17(12-14-18)21-24-25(15-20(27)16-7-3-1-4-8-16)22(28)26(21)19-9-5-2-6-10-19/h1-14H,15H2