3-chloranyl-1-phenyl-2-sulfanyl-propan-1-one; methylbenzene

Systemtic Name: 3-chloranyl-1-phenyl-2-sulfanyl-propan-1-one; methylbenzene Openeye Name: 3-chloro-1-phenyl-2-sulfanyl-propan-1-one; toluene CAS Name: 3-chloro-2-mercapto-1-phenyl-1-propanone; toluene IUPAC Name: 3-chloro-1-phenyl-2-sulfanylpropan-1-one; toluene Traditional Name: 3-chloro-2-mercapto-1-phenyl-propan-1-one; toluene Formula: C16H17ClOS MolecularWeight: 292.82358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.C1=CC=C(C=C1)C(=O)C(CCl)S

Isomeric SMILES

CC1=CC=CC=C1.C1=CC=C(C=C1)C(=O)C(CCl)S

InChI

InChI=1S/C9H9ClOS.C7H8/c10-6-8(12)9(11)7-4-2-1-3-5-7;1-7-5-3-2-4-6-7/h1-5,8,12H,6H2;2-6H,1H3