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

Systemtic Name: 4-methyl-2-(phenylmethylsulfanyl)-1-prop-1-ynyl-cycloheptene Openeye Name: 2-benzylsulfanyl-4-methyl-1-prop-1-ynyl-cycloheptene CAS Name: 4-methyl-2-(phenylmethylthio)-1-prop-1-ynylcycloheptene IUPAC Name: 2-benzylsulfanyl-4-methyl-1-prop-1-ynylcycloheptene Traditional Name: 2-(benzylthio)-4-methyl-1-prop-1-ynyl-cycloheptene Formula: C18H22S MolecularWeight: 270.43228

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=C(CC(CCC1)C)SCC2=CC=CC=C2

Isomeric SMILES

CC#CC1=C(CC(CCC1)C)SCC2=CC=CC=C2

InChI

InChI=1S/C18H22S/c1-3-8-17-12-7-9-15(2)13-18(17)19-14-16-10-5-4-6-11-16/h4-6,10-11,15H,7,9,12-14H2,1-2H3