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

Systemtic Name: 3-[6-fluoranyl-1-(3-isothiocyanatopropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione Openeye Name: 3-[6-fluoro-1-(3-isothiocyanatopropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione CAS Name: 3-[6-fluoro-1-(3-isothiocyanatopropyl)-3-indolyl]-4-(1H-indol-3-yl)pyrrole-2,5-dione IUPAC Name: 3-[6-fluoro-1-(3-isothiocyanatopropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione Traditional Name: 3-[6-fluoro-1-(3-isothiocyanatopropyl)indol-3-yl]-4-(1H-indol-3-yl)-3-pyrroline-2,5-quinone Formula: C24H17FN4O2S MolecularWeight: 444.480783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C3=C(C(=O)NC3=O)C4=CN(C5=C4C=CC(=C5)F)CCCN=C=S

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C3=C(C(=O)NC3=O)C4=CN(C5=C4C=CC(=C5)F)CCCN=C=S

InChI

InChI=1S/C24H17FN4O2S/c25-14-6-7-16-18(12-29(20(16)10-14)9-3-8-26-13-32)22-21(23(30)28-24(22)31)17-11-27-19-5-2-1-4-15(17)19/h1-2,4-7,10-12,27H,3,8-9H2,(H,28,30,31)