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

Systemtic Name: 1-(4-bromophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-bromophenyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-bromophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-bromophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-bromophenyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C15H11BrN4OS MolecularWeight: 375.24304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CSC2=NNC(=N2)C3=CC=NC=C3)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)CSC2=NNC(=N2)C3=CC=NC=C3)Br

InChI

InChI=1S/C15H11BrN4OS/c16-12-3-1-10(2-4-12)13(21)9-22-15-18-14(19-20-15)11-5-7-17-8-6-11/h1-8H,9H2,(H,18,19,20)