7-[4-(4-methylphenyl)sulfanyl-1,3-bis(oxidanylidene)isoindol-2-yl]heptanenitrile

Systemtic Name: 7-[4-(4-methylphenyl)sulfanyl-1,3-bis(oxidanylidene)isoindol-2-yl]heptanenitrile Openeye Name: 7-[1,3-dioxo-4-(p-tolylsulfanyl)isoindolin-2-yl]heptanenitrile CAS Name: 7-[4-[(4-methylphenyl)thio]-1,3-dioxo-2-isoindolyl]heptanenitrile IUPAC Name: 7-[4-(4-methylphenyl)sulfanyl-1,3-dioxoisoindol-2-yl]heptanenitrile Traditional Name: 7-[1,3-diketo-4-(p-tolylthio)isoindolin-2-yl]enanthonitrile Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC=CC3=C2C(=O)N(C3=O)CCCCCCC#N

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC=CC3=C2C(=O)N(C3=O)CCCCCCC#N

InChI

InChI=1S/C22H22N2O2S/c1-16-10-12-17(13-11-16)27-19-9-7-8-18-20(19)22(26)24(21(18)25)15-6-4-2-3-5-14-23/h7-13H,2-6,15H2,1H3