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

Systemtic Name: 3-[4-chloranyl-1-(3-isothiocyanatopropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione Openeye Name: 3-[4-chloro-1-(3-isothiocyanatopropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione CAS Name: 3-[4-chloro-1-(3-isothiocyanatopropyl)-3-indolyl]-4-(1H-indol-3-yl)pyrrole-2,5-dione IUPAC Name: 3-[4-chloro-1-(3-isothiocyanatopropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione Traditional Name: 3-[4-chloro-1-(3-isothiocyanatopropyl)indol-3-yl]-4-(1H-indol-3-yl)-3-pyrroline-2,5-quinone Formula: C24H17ClN4O2S MolecularWeight: 460.93538

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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)Cl)CCCN=C=S

Isomeric SMILES

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

InChI

InChI=1S/C24H17ClN4O2S/c25-17-6-3-8-19-20(17)16(12-29(19)10-4-9-26-13-32)22-21(23(30)28-24(22)31)15-11-27-18-7-2-1-5-14(15)18/h1-3,5-8,11-12,27H,4,9-10H2,(H,28,30,31)