5-ethynyl-1,2-dimethyl-3-methylsulfanyl-benzene

Systemtic Name: 5-ethynyl-1,2-dimethyl-3-methylsulfanyl-benzene Openeye Name: 5-ethynyl-1,2-dimethyl-3-methylsulfanyl-benzene CAS Name: 5-ethynyl-1,2-dimethyl-3-(methylthio)benzene IUPAC Name: 5-ethynyl-1,2-dimethyl-3-methylsulfanylbenzene Traditional Name: 5-ethynyl-1,2-dimethyl-3-(methylthio)benzene Formula: C11H12S MolecularWeight: 176.27798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C#C)SC)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C#C)SC)C

InChI

InChI=1S/C11H12S/c1-5-10-6-8(2)9(3)11(7-10)12-4/h1,6-7H,2-4H3