2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-5,5-dimethyl-3-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-5,5-dimethyl-3-oxidanyl-cyclohex-2-en-1-one Openeye Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-3-hydroxy-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-3-hydroxy-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-3-hydroxy-5,5-dimethyl-cyclohex-2-en-1-one Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)SC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4)O)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)SC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4)O)C

InChI

InChI=1S/C23H21N3O2S/c1-23(2)13-17(27)21(18(28)14-23)29-22-24-19(15-9-5-3-6-10-15)20(25-26-22)16-11-7-4-8-12-16/h3-12,27H,13-14H2,1-2H3