1-(3-chloranyl-4-phenylsulfanyl-cyclohexa-1,3-dien-1-yl)ethanone

Systemtic Name: 1-(3-chloranyl-4-phenylsulfanyl-cyclohexa-1,3-dien-1-yl)ethanone Openeye Name: 1-(3-chloro-4-phenylsulfanyl-cyclohexa-1,3-dien-1-yl)ethanone CAS Name: 1-[3-chloro-4-(phenylthio)-1-cyclohexa-1,3-dienyl]ethanone IUPAC Name: 1-(3-chloro-4-phenylsulfanylcyclohexa-1,3-dien-1-yl)ethanone Traditional Name: 1-[3-chloro-4-(phenylthio)cyclohexa-1,3-dien-1-yl]ethanone Formula: C14H13ClOS MolecularWeight: 264.77042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(CC1)SC2=CC=CC=C2)Cl

Isomeric SMILES

CC(=O)C1=CC(=C(CC1)SC2=CC=CC=C2)Cl

InChI

InChI=1S/C14H13ClOS/c1-10(16)11-7-8-14(13(15)9-11)17-12-5-3-2-4-6-12/h2-6,9H,7-8H2,1H3