2-[(4-methylphenyl)-phenylsulfanyl-methyl]isoindole-1,3-dione

Systemtic Name: 2-[(4-methylphenyl)-phenylsulfanyl-methyl]isoindole-1,3-dione Openeye Name: 2-[phenylsulfanyl(p-tolyl)methyl]isoindoline-1,3-dione CAS Name: 2-[(4-methylphenyl)-(phenylthio)methyl]isoindole-1,3-dione IUPAC Name: 2-[(4-methylphenyl)-phenylsulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[(phenylthio)-(p-tolyl)methyl]isoindoline-1,3-quinone Formula: C22H17NO2S MolecularWeight: 359.44088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(N2C(=O)C3=CC=CC=C3C2=O)SC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(N2C(=O)C3=CC=CC=C3C2=O)SC4=CC=CC=C4

InChI

InChI=1S/C22H17NO2S/c1-15-11-13-16(14-12-15)22(26-17-7-3-2-4-8-17)23-20(24)18-9-5-6-10-19(18)21(23)25/h2-14,22H,1H3