5-methyl-2-phenylsulfanyl-4-prop-2-enyl-cycloheptan-1-one

Systemtic Name: 5-methyl-2-phenylsulfanyl-4-prop-2-enyl-cycloheptan-1-one Openeye Name: 4-allyl-5-methyl-2-phenylsulfanyl-cycloheptanone CAS Name: 5-methyl-2-(phenylthio)-4-prop-2-enyl-1-cycloheptanone IUPAC Name: 5-methyl-2-phenylsulfanyl-4-prop-2-enylcycloheptan-1-one Traditional Name: 4-allyl-5-methyl-2-(phenylthio)cycloheptanone Formula: C17H22OS MolecularWeight: 274.42098

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(=O)C(CC1CC=C)SC2=CC=CC=C2

Isomeric SMILES

CC1CCC(=O)C(CC1CC=C)SC2=CC=CC=C2

InChI

InChI=1S/C17H22OS/c1-3-7-14-12-17(16(18)11-10-13(14)2)19-15-8-5-4-6-9-15/h3-6,8-9,13-14,17H,1,7,10-12H2,2H3