1-(4-butylphenyl)-3,4-bis[(4-methylphenyl)sulfanyl]pyrrole-2,5-dione

Systemtic Name: 1-(4-butylphenyl)-3,4-bis[(4-methylphenyl)sulfanyl]pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3,4-bis(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3,4-bis[(4-methylphenyl)thio]pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3,4-bis[(4-methylphenyl)sulfanyl]pyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3,4-bis(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C28H27NO2S2 MolecularWeight: 473.64948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)C)SC4=CC=C(C=C4)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)C)SC4=CC=C(C=C4)C

InChI

InChI=1S/C28H27NO2S2/c1-4-5-6-21-11-13-22(14-12-21)29-27(30)25(32-23-15-7-19(2)8-16-23)26(28(29)31)33-24-17-9-20(3)10-18-24/h7-18H,4-6H2,1-3H3