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

Systemtic Name: 2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone Openeye Name: 2-[[4-(4-bromophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(p-tolyl)ethanone CAS Name: 2-[[4-(4-bromophenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-(4-methylphenyl)ethanone IUPAC Name: 2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone Traditional Name: 2-[[4-(4-bromophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(p-tolyl)ethanone Formula: C22H17BrN4OS MolecularWeight: 465.36558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CN=CC=C4

InChI

InChI=1S/C22H17BrN4OS/c1-15-4-6-16(7-5-15)20(28)14-29-22-26-25-21(17-3-2-12-24-13-17)27(22)19-10-8-18(23)9-11-19/h2-13H,14H2,1H3