5,5-dimethyl-2-[(1-methyl-4-phenyl-1,2,4-triazol-4-ium-3-yl)sulfanyl]-3-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: 5,5-dimethyl-2-[(1-methyl-4-phenyl-1,2,4-triazol-4-ium-3-yl)sulfanyl]-3-oxidanyl-cyclohex-2-en-1-one Openeye Name: 3-hydroxy-5,5-dimethyl-2-[(1-methyl-4-phenyl-1,2,4-triazol-4-ium-3-yl)sulfanyl]cyclohex-2-en-1-one CAS Name: 3-hydroxy-5,5-dimethyl-2-[(1-methyl-4-phenyl-1,2,4-triazol-4-ium-3-yl)thio]-1-cyclohex-2-enone IUPAC Name: 3-hydroxy-5,5-dimethyl-2-[(1-methyl-4-phenyl-1,2,4-triazol-4-ium-3-yl)sulfanyl]cyclohex-2-en-1-one Traditional Name: 3-hydroxy-5,5-dimethyl-2-[(1-methyl-4-phenyl-1,2,4-triazol-4-ium-3-yl)thio]cyclohex-2-en-1-one Formula: C17H20N3O2S+ MolecularWeight: 330.4246

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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/p+1