1-(4-butylphenyl)-3,4-bis(phenylsulfanyl)pyrrole-2,5-dione

Systemtic Name: 1-(4-butylphenyl)-3,4-bis(phenylsulfanyl)pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3,4-bis(phenylsulfanyl)pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3,4-bis(phenylthio)pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3,4-bis(phenylsulfanyl)pyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3,4-bis(phenylthio)-3-pyrroline-2,5-quinone Formula: C26H23NO2S2 MolecularWeight: 445.59632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23NO2S2/c1-2-3-10-19-15-17-20(18-16-19)27-25(28)23(30-21-11-6-4-7-12-21)24(26(27)29)31-22-13-8-5-9-14-22/h4-9,11-18H,2-3,10H2,1H3