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

Systemtic Name: 2-[[4-(4-bromophenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-(4-bromophenyl)-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[4-(4-bromophenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[4-(4-bromophenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-(4-bromophenyl)-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C23H18BrN3OS MolecularWeight: 464.37752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=C(C=C3)Br)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=C(C=C3)Br)SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H18BrN3OS/c1-16-6-5-9-18(14-16)22-25-26-23(27(22)20-12-10-19(24)11-13-20)29-15-21(28)17-7-3-2-4-8-17/h2-14H,15H2,1H3