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

Systemtic Name: 1-(4-chlorophenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-chlorophenyl)-2-[[5-(3-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-chlorophenyl)-2-[[5-(3-pyridinyl)-1H-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-chlorophenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-chlorophenyl)-2-[[5-(3-pyridyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C15H11ClN4OS MolecularWeight: 330.79204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NC(=NN2)SCC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC(=CN=C1)C2=NC(=NN2)SCC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H11ClN4OS/c16-12-5-3-10(4-6-12)13(21)9-22-15-18-14(19-20-15)11-2-1-7-17-8-11/h1-8H,9H2,(H,18,19,20)