3-[(1-methylimidazol-2-yl)sulfanyl-phenyl-methyl]cyclohexan-1-one

Systemtic Name: 3-[(1-methylimidazol-2-yl)sulfanyl-phenyl-methyl]cyclohexan-1-one Openeye Name: 3-[(1-methylimidazol-2-yl)sulfanyl-phenyl-methyl]cyclohexanone CAS Name: 3-[[(1-methyl-2-imidazolyl)thio]-phenylmethyl]-1-cyclohexanone IUPAC Name: 3-[(1-methylimidazol-2-yl)sulfanyl-phenylmethyl]cyclohexan-1-one Traditional Name: 3-[[(1-methylimidazol-2-yl)thio]-phenyl-methyl]cyclohexanone Formula: C17H20N2OS MolecularWeight: 300.4185

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC(C2CCCC(=O)C2)C3=CC=CC=C3

Isomeric SMILES

CN1C=CN=C1SC(C2CCCC(=O)C2)C3=CC=CC=C3

InChI

InChI=1S/C17H20N2OS/c1-19-11-10-18-17(19)21-16(13-6-3-2-4-7-13)14-8-5-9-15(20)12-14/h2-4,6-7,10-11,14,16H,5,8-9,12H2,1H3