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

Systemtic Name: 1-(4-bromophenyl)-4-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Openeye Name: 1-(4-bromophenyl)-4-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 1-(4-bromophenyl)-4-[[4-(2-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-butanone IUPAC Name: 1-(4-bromophenyl)-4-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Traditional Name: 1-(4-bromophenyl)-4-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C24H21BrN4OS MolecularWeight: 493.41874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCCCC(=O)C3=CC=C(C=C3)Br)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCCCC(=O)C3=CC=C(C=C3)Br)C4=CN=CC=C4

InChI

InChI=1S/C24H21BrN4OS/c1-17-6-2-3-8-21(17)29-23(19-7-4-14-26-16-19)27-28-24(29)31-15-5-9-22(30)18-10-12-20(25)13-11-18/h2-4,6-8,10-14,16H,5,9,15H2,1H3