2-[3-(3-bromophenyl)-4-(4-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(2,5-dimethylphenyl)ethanamide

Systemtic Name: 2-[3-(3-bromophenyl)-4-(4-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(2,5-dimethylphenyl)ethanamide Openeye Name: 2-[3-(3-bromophenyl)-4-(p-tolyl)-5-thioxo-1,2,4-triazol-1-yl]-N-(2,5-dimethylphenyl)acetamide CAS Name: 2-[3-(3-bromophenyl)-4-(4-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(2,5-dimethylphenyl)acetamide IUPAC Name: 2-[3-(3-bromophenyl)-4-(4-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(2,5-dimethylphenyl)acetamide Traditional Name: 2-[3-(3-bromophenyl)-4-(p-tolyl)-5-thioxo-1,2,4-triazol-1-yl]-N-(2,5-dimethylphenyl)acetamide Formula: C25H23BrN4OS MolecularWeight: 507.44532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN(C2=S)CC(=O)NC3=C(C=CC(=C3)C)C)C4=CC(=CC=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN(C2=S)CC(=O)NC3=C(C=CC(=C3)C)C)C4=CC(=CC=C4)Br

InChI

InChI=1S/C25H23BrN4OS/c1-16-8-11-21(12-9-16)30-24(19-5-4-6-20(26)14-19)28-29(25(30)32)15-23(31)27-22-13-17(2)7-10-18(22)3/h4-14H,15H2,1-3H3,(H,27,31)