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

Systemtic Name: 1-(2-bromophenyl)-2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(2-bromophenyl)-2-[[4-(2-isopropylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(2-bromophenyl)-2-[[4-(2-propan-2-ylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(2-bromophenyl)-2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(2-bromophenyl)-2-[[4-o-cumenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C24H21BrN4OS MolecularWeight: 493.41874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=NN=C2SCC(=O)C3=CC=CC=C3Br)C4=CN=CC=C4

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=NN=C2SCC(=O)C3=CC=CC=C3Br)C4=CN=CC=C4

InChI

InChI=1S/C24H21BrN4OS/c1-16(2)18-9-4-6-12-21(18)29-23(17-8-7-13-26-14-17)27-28-24(29)31-15-22(30)19-10-3-5-11-20(19)25/h3-14,16H,15H2,1-2H3