2-[4-chloranyl-4-(4-methylphenyl)sulfanyl-butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-chloranyl-4-(4-methylphenyl)sulfanyl-butyl]isoindole-1,3-dione Openeye Name: 2-[4-chloro-4-(p-tolylsulfanyl)butyl]isoindoline-1,3-dione CAS Name: 2-[4-chloro-4-[(4-methylphenyl)thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-chloro-4-(4-methylphenyl)sulfanylbutyl]isoindole-1,3-dione Traditional Name: 2-[4-chloro-4-(p-tolylthio)butyl]isoindoline-1,3-quinone Formula: C19H18ClNO2S MolecularWeight: 359.86972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(CCCN2C(=O)C3=CC=CC=C3C2=O)Cl

Isomeric SMILES

CC1=CC=C(C=C1)SC(CCCN2C(=O)C3=CC=CC=C3C2=O)Cl

InChI

InChI=1S/C19H18ClNO2S/c1-13-8-10-14(11-9-13)24-17(20)7-4-12-21-18(22)15-5-2-3-6-16(15)19(21)23/h2-3,5-6,8-11,17H,4,7,12H2,1H3