1-imidazol-1-yl-3,3-dimethyl-2-[(4-methylsulfanylphenyl)methyl]butan-1-one

Systemtic Name: 1-imidazol-1-yl-3,3-dimethyl-2-[(4-methylsulfanylphenyl)methyl]butan-1-one Openeye Name: 1-imidazol-1-yl-3,3-dimethyl-2-[(4-methylsulfanylphenyl)methyl]butan-1-one CAS Name: 1-(1-imidazolyl)-3,3-dimethyl-2-[[4-(methylthio)phenyl]methyl]-1-butanone IUPAC Name: 1-imidazol-1-yl-3,3-dimethyl-2-[(4-methylsulfanylphenyl)methyl]butan-1-one Traditional Name: 1-imidazol-1-yl-3,3-dimethyl-2-[4-(methylthio)benzyl]butan-1-one Formula: C17H22N2OS MolecularWeight: 302.43438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CC1=CC=C(C=C1)SC)C(=O)N2C=CN=C2

Isomeric SMILES

CC(C)(C)C(CC1=CC=C(C=C1)SC)C(=O)N2C=CN=C2

InChI

InChI=1S/C17H22N2OS/c1-17(2,3)15(16(20)19-10-9-18-12-19)11-13-5-7-14(21-4)8-6-13/h5-10,12,15H,11H2,1-4H3