2-(4-methylphenyl)-2-phenylsulfanyl-cyclohept-4-en-1-one

Systemtic Name: 2-(4-methylphenyl)-2-phenylsulfanyl-cyclohept-4-en-1-one Openeye Name: 2-phenylsulfanyl-2-(p-tolyl)cyclohept-4-en-1-one CAS Name: 2-(4-methylphenyl)-2-(phenylthio)-1-cyclohept-4-enone IUPAC Name: 2-(4-methylphenyl)-2-phenylsulfanylcyclohept-4-en-1-one Traditional Name: 2-(phenylthio)-2-(p-tolyl)cyclohept-4-en-1-one Formula: C20H20OS MolecularWeight: 308.4372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(CC=CCCC2=O)SC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2(CC=CCCC2=O)SC3=CC=CC=C3

InChI

InChI=1S/C20H20OS/c1-16-11-13-17(14-12-16)20(15-7-3-6-10-19(20)21)22-18-8-4-2-5-9-18/h2-5,7-9,11-14H,6,10,15H2,1H3