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

Systemtic Name: 3-(1H-indol-3-yl)-4-[1-(3-isothiocyanatopropyl)-4-nitro-indol-3-yl]pyrrole-2,5-dione Openeye Name: 3-(1H-indol-3-yl)-4-[1-(3-isothiocyanatopropyl)-4-nitro-indol-3-yl]pyrrole-2,5-dione CAS Name: 3-(1H-indol-3-yl)-4-[1-(3-isothiocyanatopropyl)-4-nitro-3-indolyl]pyrrole-2,5-dione IUPAC Name: 3-(1H-indol-3-yl)-4-[1-(3-isothiocyanatopropyl)-4-nitroindol-3-yl]pyrrole-2,5-dione Traditional Name: 3-(1H-indol-3-yl)-4-[1-(3-isothiocyanatopropyl)-4-nitro-indol-3-yl]-3-pyrroline-2,5-quinone Formula: C24H17N5O4S MolecularWeight: 471.48788

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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)[N+](=O)[O-])CCCN=C=S

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C3=C(C(=O)NC3=O)C4=CN(C5=C4C(=CC=C5)[N+](=O)[O-])CCCN=C=S

InChI

InChI=1S/C24H17N5O4S/c30-23-21(15-11-26-17-6-2-1-5-14(15)17)22(24(31)27-23)16-12-28(10-4-9-25-13-34)18-7-3-8-19(20(16)18)29(32)33/h1-3,5-8,11-12,26H,4,9-10H2,(H,27,30,31)