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

Systemtic Name: 1,4-bis(4-butylsulfanylphenyl)-2,5-dimethyl-pyrrolo[3,4-c]pyrrole-3,6-dione Openeye Name: 1,4-bis(4-butylsulfanylphenyl)-2,5-dimethyl-pyrrolo[3,4-c]pyrrole-3,6-dione CAS Name: 1,4-bis[4-(butylthio)phenyl]-2,5-dimethylpyrrolo[3,4-c]pyrrole-3,6-dione IUPAC Name: 1,4-bis(4-butylsulfanylphenyl)-2,5-dimethylpyrrolo[3,4-c]pyrrole-3,6-dione Traditional Name: 1,4-bis[4-(butylthio)phenyl]-2,5-dimethyl-pyrrolo[3,4-c]pyrrole-3,6-quinone Formula: C28H32N2O2S2 MolecularWeight: 492.69588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N2O2S2/c1-5-7-17-33-21-13-9-19(10-14-21)25-23-24(28(32)29(25)3)26(30(4)27(23)31)20-11-15-22(16-12-20)34-18-8-6-2/h9-16H,5-8,17-18H2,1-4H3