1-(phenylmethylsulfanyl)-2-prop-1-ynyl-cycloheptene

Systemtic Name: 1-(phenylmethylsulfanyl)-2-prop-1-ynyl-cycloheptene Openeye Name: 1-benzylsulfanyl-2-prop-1-ynyl-cycloheptene CAS Name: 1-(phenylmethylthio)-2-prop-1-ynylcycloheptene IUPAC Name: 1-benzylsulfanyl-2-prop-1-ynylcycloheptene Traditional Name: 1-(benzylthio)-2-prop-1-ynyl-cycloheptene Formula: C17H20S MolecularWeight: 256.4057

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=C(CCCCC1)SCC2=CC=CC=C2

Isomeric SMILES

CC#CC1=C(CCCCC1)SCC2=CC=CC=C2

InChI

InChI=1S/C17H20S/c1-2-9-16-12-7-4-8-13-17(16)18-14-15-10-5-3-6-11-15/h3,5-6,10-11H,4,7-8,12-14H2,1H3