4-(4-butylsulfanylphenyl)-2,5-dimethyl-1-(4-methylsulfanylphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione

Systemtic Name: 4-(4-butylsulfanylphenyl)-2,5-dimethyl-1-(4-methylsulfanylphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione Openeye Name: 4-(4-butylsulfanylphenyl)-2,5-dimethyl-1-(4-methylsulfanylphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione CAS Name: 4-[4-(butylthio)phenyl]-2,5-dimethyl-1-[4-(methylthio)phenyl]pyrrolo[3,4-c]pyrrole-3,6-dione IUPAC Name: 4-(4-butylsulfanylphenyl)-2,5-dimethyl-1-(4-methylsulfanylphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione Traditional Name: 4-[4-(butylthio)phenyl]-2,5-dimethyl-1-[4-(methylthio)phenyl]pyrrolo[3,4-c]pyrrole-3,6-quinone Formula: C25H26N2O2S2 MolecularWeight: 450.61614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)C2=C3C(=C(N(C3=O)C)C4=CC=C(C=C4)SC)C(=O)N2C

Isomeric SMILES

CCCCSC1=CC=C(C=C1)C2=C3C(=C(N(C3=O)C)C4=CC=C(C=C4)SC)C(=O)N2C

InChI

InChI=1S/C25H26N2O2S2/c1-5-6-15-31-19-13-9-17(10-14-19)23-21-20(24(28)27(23)3)22(26(2)25(21)29)16-7-11-18(30-4)12-8-16/h7-14H,5-6,15H2,1-4H3