methylbenzene; 1-phenyl-2-sulfanyl-ethanone

Systemtic Name: methylbenzene; 1-phenyl-2-sulfanyl-ethanone Openeye Name: 1-phenyl-2-sulfanyl-ethanone; toluene CAS Name: 2-mercapto-1-phenylethanone; toluene IUPAC Name: 1-phenyl-2-sulfanylethanone; toluene Traditional Name: 2-mercapto-1-phenyl-ethanone; toluene Formula: C15H16OS MolecularWeight: 244.35194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8OS.C7H8/c9-8(6-10)7-4-2-1-3-5-7;1-7-5-3-2-4-6-7/h1-5,10H,6H2;2-6H,1H3