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

Systemtic Name: 3-[1-(2-azanylethyl)-6-methylsulfanyl-indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione Openeye Name: 3-[1-(2-aminoethyl)-6-methylsulfanyl-indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione CAS Name: 3-[1-(2-aminoethyl)-6-(methylthio)-3-indolyl]-4-(1H-indol-3-yl)pyrrole-2,5-dione IUPAC Name: 3-[1-(2-aminoethyl)-6-methylsulfanylindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione Traditional Name: 3-[1-(2-aminoethyl)-6-(methylthio)indol-3-yl]-4-(1H-indol-3-yl)-3-pyrroline-2,5-quinone Formula: C23H20N4O2S MolecularWeight: 416.4955

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)C(=CN2CCN)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54

Isomeric SMILES

CSC1=CC2=C(C=C1)C(=CN2CCN)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C23H20N4O2S/c1-30-13-6-7-15-17(12-27(9-8-24)19(15)10-13)21-20(22(28)26-23(21)29)16-11-25-18-5-3-2-4-14(16)18/h2-7,10-12,25H,8-9,24H2,1H3,(H,26,28,29)