3,4-bis[1-(1-phenylsulfanylethyl)indol-3-yl]pyrrole-2,5-dione

Systemtic Name: 3,4-bis[1-(1-phenylsulfanylethyl)indol-3-yl]pyrrole-2,5-dione Openeye Name: 3,4-bis[1-(1-phenylsulfanylethyl)indol-3-yl]pyrrole-2,5-dione CAS Name: 3,4-bis[1-[1-(phenylthio)ethyl]-3-indolyl]pyrrole-2,5-dione IUPAC Name: 3,4-bis[1-(1-phenylsulfanylethyl)indol-3-yl]pyrrole-2,5-dione Traditional Name: 3,4-bis[1-[1-(phenylthio)ethyl]indol-3-yl]-3-pyrroline-2,5-quinone Formula: C36H29N3O2S2 MolecularWeight: 599.76436

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C(C)SC6=CC=CC=C6)SC7=CC=CC=C7

Isomeric SMILES

CC(N1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C(C)SC6=CC=CC=C6)SC7=CC=CC=C7

InChI

InChI=1S/C36H29N3O2S2/c1-23(42-25-13-5-3-6-14-25)38-21-29(27-17-9-11-19-31(27)38)33-34(36(41)37-35(33)40)30-22-39(32-20-12-10-18-28(30)32)24(2)43-26-15-7-4-8-16-26/h3-24H,1-2H3,(H,37,40,41)