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

Systemtic Name: 5-[1-[(4-chlorophenyl)methyl]-2-oxidanylidene-pyridin-3-yl]-4-prop-2-enyl-1,2,4-triazole-3-thiolate Openeye Name: 4-allyl-5-[1-[(4-chlorophenyl)methyl]-2-oxo-3-pyridyl]-1,2,4-triazole-3-thiolate CAS Name: 5-[1-[(4-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-4-prop-2-enyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[1-[(4-chlorophenyl)methyl]-2-oxopyridin-3-yl]-4-prop-2-enyl-1,2,4-triazole-3-thiolate Traditional Name: 4-allyl-5-[1-(4-chlorobenzyl)-2-keto-3-pyridyl]-1,2,4-triazole-3-thiolate Formula: C17H14ClN4OS- MolecularWeight: 357.83726

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1[S-])C2=CC=CN(C2=O)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C=CCN1C(=NN=C1[S-])C2=CC=CN(C2=O)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H15ClN4OS/c1-2-9-22-15(19-20-17(22)24)14-4-3-10-21(16(14)23)11-12-5-7-13(18)8-6-12/h2-8,10H,1,9,11H2,(H,20,24)/p-1