1-[2-(3-isothiocyanatopropyl)-1H-indol-3-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione

Systemtic Name: 1-[2-(3-isothiocyanatopropyl)-1H-indol-3-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione Openeye Name: 1-[2-(3-isothiocyanatopropyl)-1H-indol-3-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione CAS Name: 1-[2-(3-isothiocyanatopropyl)-1H-indol-3-yl]-3-(1-methyl-3-indolyl)pyrrole-2,5-dione IUPAC Name: 1-[2-(3-isothiocyanatopropyl)-1H-indol-3-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione Traditional Name: 1-[2-(3-isothiocyanatopropyl)-1H-indol-3-yl]-3-(1-methylindol-3-yl)-3-pyrroline-2,5-quinone Formula: C25H20N4O2S MolecularWeight: 440.5169

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C3=CC(=O)N(C3=O)C4=C(NC5=CC=CC=C54)CCCN=C=S

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C3=CC(=O)N(C3=O)C4=C(NC5=CC=CC=C54)CCCN=C=S

InChI

InChI=1S/C25H20N4O2S/c1-28-14-19(16-7-3-5-11-22(16)28)18-13-23(30)29(25(18)31)24-17-8-2-4-9-20(17)27-21(24)10-6-12-26-15-32/h2-5,7-9,11,13-14,27H,6,10,12H2,1H3