3-[1-(3-isothiocyanatopropyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione

Systemtic Name: 3-[1-(3-isothiocyanatopropyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione Openeye Name: 3-[1-(3-isothiocyanatopropyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione CAS Name: 3-[1-(3-isothiocyanatopropyl)-3-indolyl]-4-(1-methyl-3-indolyl)pyrrole-2,5-dione IUPAC Name: 3-[1-(3-isothiocyanatopropyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione Traditional Name: 3-[1-(3-isothiocyanatopropyl)indol-3-yl]-4-(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=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCN=C=S

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCN=C=S

InChI

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