5,5-dimethyl-2-[(1-methyl-4-phenyl-1,2,4-triazol-4-ium-3-yl)sulfanyl]-3-oxidanylidene-cyclohexen-1-olate

Systemtic Name: 5,5-dimethyl-2-[(1-methyl-4-phenyl-1,2,4-triazol-4-ium-3-yl)sulfanyl]-3-oxidanylidene-cyclohexen-1-olate Openeye Name: 5,5-dimethyl-2-[(1-methyl-4-phenyl-1,2,4-triazol-4-ium-3-yl)sulfanyl]-3-oxo-cyclohexen-1-olate CAS Name: 5,5-dimethyl-2-[(1-methyl-4-phenyl-1,2,4-triazol-4-ium-3-yl)thio]-3-oxo-1-cyclohexenolate IUPAC Name: 5,5-dimethyl-2-[(1-methyl-4-phenyl-1,2,4-triazol-4-ium-3-yl)sulfanyl]-3-oxocyclohexen-1-olate Traditional Name: 3-keto-5,5-dimethyl-2-[(1-methyl-4-phenyl-1,2,4-triazol-4-ium-3-yl)thio]cyclohexen-1-olate Formula: C17H19N3O2S MolecularWeight: 329.41666

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)SC2=NN(C=[N+]2C3=CC=CC=C3)C)[O-])C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)SC2=NN(C=[N+]2C3=CC=CC=C3)C)[O-])C

InChI

InChI=1S/C17H19N3O2S/c1-17(2)9-13(21)15(14(22)10-17)23-16-18-19(3)11-20(16)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3