4-[3-(2-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[3-(2-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[3-(2-bromophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[3-(2-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[3-(2-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[3-(2-bromophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C19H16BrN5OS MolecularWeight: 442.33224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NNC3=S)C4=CC=CC=C4Br

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NNC3=S)C4=CC=CC=C4Br

InChI

InChI=1S/C19H16BrN5OS/c1-12-16(18(26)25(23(12)2)13-8-4-3-5-9-13)24-17(21-22-19(24)27)14-10-6-7-11-15(14)20/h3-11H,1-2H3,(H,22,27)