1-(4-ethylphenyl)-2-sulfanyl-ethanone; methylbenzene

Systemtic Name: 1-(4-ethylphenyl)-2-sulfanyl-ethanone; methylbenzene Openeye Name: 1-(4-ethylphenyl)-2-sulfanyl-ethanone; toluene CAS Name: 1-(4-ethylphenyl)-2-mercaptoethanone; toluene IUPAC Name: 1-(4-ethylphenyl)-2-sulfanylethanone; toluene Traditional Name: 1-(4-ethylphenyl)-2-mercapto-ethanone; toluene Formula: C17H20OS MolecularWeight: 272.4051

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CS.CC1=CC=CC=C1

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CS.CC1=CC=CC=C1

InChI

InChI=1S/C10H12OS.C7H8/c1-2-8-3-5-9(6-4-8)10(11)7-12;1-7-5-3-2-4-6-7/h3-6,12H,2,7H2,1H3;2-6H,1H3