3-(1H-benzimidazol-2-ylsulfanyl)-5,5-dimethyl-cyclohex-2-en-1-one

Systemtic Name: 3-(1H-benzimidazol-2-ylsulfanyl)-5,5-dimethyl-cyclohex-2-en-1-one Openeye Name: 3-(1H-benzimidazol-2-ylsulfanyl)-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 3-(1H-benzimidazol-2-ylthio)-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 3-(1H-benzimidazol-2-ylsulfanyl)-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 3-(1H-benzimidazol-2-ylthio)-5,5-dimethyl-cyclohex-2-en-1-one Formula: C15H16N2OS MolecularWeight: 272.36534

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=O)C1)SC2=NC3=CC=CC=C3N2)C

Isomeric SMILES

CC1(CC(=CC(=O)C1)SC2=NC3=CC=CC=C3N2)C

InChI

InChI=1S/C15H16N2OS/c1-15(2)8-10(18)7-11(9-15)19-14-16-12-5-3-4-6-13(12)17-14/h3-7H,8-9H2,1-2H3,(H,16,17)