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

Systemtic Name: 2-[3-(4-bromophenyl)-4-(3-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-phenyl-N-propan-2-yl-ethanamide Openeye Name: 2-[3-(4-bromophenyl)-4-(m-tolyl)-5-thioxo-1,2,4-triazol-1-yl]-N-isopropyl-N-phenyl-acetamide CAS Name: 2-[3-(4-bromophenyl)-4-(3-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-phenyl-N-propan-2-ylacetamide IUPAC Name: 2-[3-(4-bromophenyl)-4-(3-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-phenyl-N-propan-2-ylacetamide Traditional Name: 2-[3-(4-bromophenyl)-4-(m-tolyl)-5-thioxo-1,2,4-triazol-1-yl]-N-isopropyl-N-phenyl-acetamide Formula: C26H25BrN4OS MolecularWeight: 521.4719

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25BrN4OS/c1-18(2)30(22-9-5-4-6-10-22)24(32)17-29-26(33)31(23-11-7-8-19(3)16-23)25(28-29)20-12-14-21(27)15-13-20/h4-16,18H,17H2,1-3H3