3-methyl-1-[2-[(E)-4-[2-[3-methyl-2,5-bis(oxidanylidene)pyrrol-1-yl]phenyl]sulfanylbut-2-enyl]sulfanylphenyl]pyrrole-2,5-dione

Systemtic Name: 3-methyl-1-[2-[(E)-4-[2-[3-methyl-2,5-bis(oxidanylidene)pyrrol-1-yl]phenyl]sulfanylbut-2-enyl]sulfanylphenyl]pyrrole-2,5-dione Openeye Name: 3-methyl-1-[2-[(E)-4-[2-(3-methyl-2,5-dioxo-pyrrol-1-yl)phenyl]sulfanylbut-2-enyl]sulfanylphenyl]pyrrole-2,5-dione CAS Name: 3-methyl-1-[2-[[(E)-4-[[2-(3-methyl-2,5-dioxo-1-pyrrolyl)phenyl]thio]but-2-enyl]thio]phenyl]pyrrole-2,5-dione IUPAC Name: 3-methyl-1-[2-[(E)-4-[2-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]sulfanylbut-2-enyl]sulfanylphenyl]pyrrole-2,5-dione Traditional Name: 1-[2-[[(E)-4-[(2-citraconimidophenyl)thio]but-2-enyl]thio]phenyl]-3-methyl-3-pyrroline-2,5-quinone Formula: C26H22N2O4S2 MolecularWeight: 490.59388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C1=O)C2=CC=CC=C2SCC=CCSC3=CC=CC=C3N4C(=O)C=C(C4=O)C

Isomeric SMILES

CC1=CC(=O)N(C1=O)C2=CC=CC=C2SC/C=C/CSC3=CC=CC=C3N4C(=O)C=C(C4=O)C

InChI

InChI=1S/C26H22N2O4S2/c1-17-15-23(29)27(25(17)31)19-9-3-5-11-21(19)33-13-7-8-14-34-22-12-6-4-10-20(22)28-24(30)16-18(2)26(28)32/h3-12,15-16H,13-14H2,1-2H3/b8-7+