2-[3-(4-bromophenyl)-4-(3,5-dimethylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(2,4,6-trimethylphenyl)ethanamide

Systemtic Name: 2-[3-(4-bromophenyl)-4-(3,5-dimethylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-[3-(4-bromophenyl)-4-(3,5-dimethylphenyl)-5-thioxo-1,2,4-triazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[3-(4-bromophenyl)-4-(3,5-dimethylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-[3-(4-bromophenyl)-4-(3,5-dimethylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: 2-[3-(4-bromophenyl)-4-(3,5-dimethylphenyl)-5-thioxo-1,2,4-triazol-1-yl]-N-mesityl-acetamide Formula: C27H27BrN4OS MolecularWeight: 535.49848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=NN(C2=S)CC(=O)NC3=C(C=C(C=C3C)C)C)C4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=NN(C2=S)CC(=O)NC3=C(C=C(C=C3C)C)C)C4=CC=C(C=C4)Br)C

InChI

InChI=1S/C27H27BrN4OS/c1-16-10-17(2)14-23(13-16)32-26(21-6-8-22(28)9-7-21)30-31(27(32)34)15-24(33)29-25-19(4)11-18(3)12-20(25)5/h6-14H,15H2,1-5H3,(H,29,33)