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

Systemtic Name: 5-[1-[(3,4-dichlorophenyl)methyl]-2-oxidanylidene-pyridin-3-yl]-4-prop-2-enyl-1,2,4-triazole-3-thiolate Openeye Name: 4-allyl-5-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridyl]-1,2,4-triazole-3-thiolate CAS Name: 5-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-4-prop-2-enyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[1-[(3,4-dichlorophenyl)methyl]-2-oxopyridin-3-yl]-4-prop-2-enyl-1,2,4-triazole-3-thiolate Traditional Name: 4-allyl-5-[1-(3,4-dichlorobenzyl)-2-keto-3-pyridyl]-1,2,4-triazole-3-thiolate Formula: C17H13Cl2N4OS- MolecularWeight: 392.28232

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H14Cl2N4OS/c1-2-7-23-15(20-21-17(23)25)12-4-3-8-22(16(12)24)10-11-5-6-13(18)14(19)9-11/h2-6,8-9H,1,7,10H2,(H,21,25)/p-1