3-(phenylsulfanylmethyl)cyclohept-2-en-1-one

Systemtic Name: 3-(phenylsulfanylmethyl)cyclohept-2-en-1-one Openeye Name: 3-(phenylsulfanylmethyl)cyclohept-2-en-1-one CAS Name: 3-[(phenylthio)methyl]-1-cyclohept-2-enone IUPAC Name: 3-(phenylsulfanylmethyl)cyclohept-2-en-1-one Traditional Name: 3-[(phenylthio)methyl]cyclohept-2-en-1-one Formula: C14H16OS MolecularWeight: 232.34124

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C=C(C1)CSC2=CC=CC=C2

Isomeric SMILES

C1CCC(=O)C=C(C1)CSC2=CC=CC=C2

InChI

InChI=1S/C14H16OS/c15-13-7-5-4-6-12(10-13)11-16-14-8-2-1-3-9-14/h1-3,8-10H,4-7,11H2