(2-prop-1-ynylcyclohexen-1-yl)sulfanylmethylbenzene

Systemtic Name: (2-prop-1-ynylcyclohexen-1-yl)sulfanylmethylbenzene Openeye Name: (2-prop-1-ynylcyclohexen-1-yl)sulfanylmethylbenzene CAS Name: [(2-prop-1-ynyl-1-cyclohexenyl)thio]methylbenzene IUPAC Name: (2-prop-1-ynylcyclohexen-1-yl)sulfanylmethylbenzene Traditional Name: [(2-prop-1-ynylcyclohexen-1-yl)thio]methylbenzene Formula: C16H18S MolecularWeight: 242.37912

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=C(CCCC1)SCC2=CC=CC=C2

Isomeric SMILES

CC#CC1=C(CCCC1)SCC2=CC=CC=C2

InChI

InChI=1S/C16H18S/c1-2-8-15-11-6-7-12-16(15)17-13-14-9-4-3-5-10-14/h3-5,9-10H,6-7,11-13H2,1H3