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

Systemtic Name: 3-(1H-indol-3-yl)-4-[1-(3-isothiocyanatopropyl)-6-nitro-indol-3-yl]pyrrole-2,5-dione Openeye Name: 3-(1H-indol-3-yl)-4-[1-(3-isothiocyanatopropyl)-6-nitro-indol-3-yl]pyrrole-2,5-dione CAS Name: 3-(1H-indol-3-yl)-4-[1-(3-isothiocyanatopropyl)-6-nitro-3-indolyl]pyrrole-2,5-dione IUPAC Name: 3-(1H-indol-3-yl)-4-[1-(3-isothiocyanatopropyl)-6-nitroindol-3-yl]pyrrole-2,5-dione Traditional Name: 3-(1H-indol-3-yl)-4-[1-(3-isothiocyanatopropyl)-6-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(17-11-26-19-5-2-1-4-15(17)19)22(24(31)27-23)18-12-28(9-3-8-25-13-34)20-10-14(29(32)33)6-7-16(18)20/h1-2,4-7,10-12,26H,3,8-9H2,(H,27,30,31)