3-[1-(2-diethylaminoethyl)-6-methylsulfanyl-indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione

Systemtic Name: 3-[1-(2-diethylaminoethyl)-6-methylsulfanyl-indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione Openeye Name: 3-[1-(2-diethylaminoethyl)-6-methylsulfanyl-indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione CAS Name: 3-[1-(2-diethylaminoethyl)-6-(methylthio)-3-indolyl]-4-(1H-indol-3-yl)pyrrole-2,5-dione IUPAC Name: 3-[1-(2-diethylaminoethyl)-6-methylsulfanylindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione Traditional Name: 3-[1-(2-diethylaminoethyl)-6-(methylthio)indol-3-yl]-4-(1H-indol-3-yl)-3-pyrroline-2,5-quinone Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C=C(C2=C1C=C(C=C2)SC)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54

Isomeric SMILES

CCN(CC)CCN1C=C(C2=C1C=C(C=C2)SC)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C27H28N4O2S/c1-4-30(5-2)12-13-31-16-21(19-11-10-17(34-3)14-23(19)31)25-24(26(32)29-27(25)33)20-15-28-22-9-7-6-8-18(20)22/h6-11,14-16,28H,4-5,12-13H2,1-3H3,(H,29,32,33)