5-[1-[(3-chlorophenyl)methyl]-2-oxidanylidene-pyridin-3-yl]-2-methyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[1-[(3-chlorophenyl)methyl]-2-oxidanylidene-pyridin-3-yl]-2-methyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[1-[(3-chlorophenyl)methyl]-2-oxo-3-pyridyl]-2-methyl-1,2,4-triazole-3-thiolate CAS Name: 5-[1-[(3-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-2-methyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[1-[(3-chlorophenyl)methyl]-2-oxopyridin-3-yl]-2-methyl-1,2,4-triazole-3-thiolate Traditional Name: 5-[1-(3-chlorobenzyl)-2-keto-3-pyridyl]-2-methyl-1,2,4-triazole-3-thiolate Formula: C15H12ClN4OS- MolecularWeight: 331.79998

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)C2=CC=CN(C2=O)CC3=CC(=CC=C3)Cl)[S-]

Isomeric SMILES

CN1C(=NC(=N1)C2=CC=CN(C2=O)CC3=CC(=CC=C3)Cl)[S-]

InChI

InChI=1S/C15H13ClN4OS/c1-19-15(22)17-13(18-19)12-6-3-7-20(14(12)21)9-10-4-2-5-11(16)8-10/h2-8H,9H2,1H3,(H,17,18,22)/p-1