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

Systemtic Name: 3-(1H-indol-3-yl)-4-[1-(3-isothiocyanatopropyl)-5-methyl-indol-3-yl]pyrrole-2,5-dione Openeye Name: 3-(1H-indol-3-yl)-4-[1-(3-isothiocyanatopropyl)-5-methyl-indol-3-yl]pyrrole-2,5-dione CAS Name: 3-(1H-indol-3-yl)-4-[1-(3-isothiocyanatopropyl)-5-methyl-3-indolyl]pyrrole-2,5-dione IUPAC Name: 3-(1H-indol-3-yl)-4-[1-(3-isothiocyanatopropyl)-5-methylindol-3-yl]pyrrole-2,5-dione Traditional Name: 3-(1H-indol-3-yl)-4-[1-(3-isothiocyanatopropyl)-5-methyl-indol-3-yl]-3-pyrroline-2,5-quinone Formula: C25H20N4O2S MolecularWeight: 440.5169

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C=C2C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54)CCCN=C=S

Isomeric SMILES

CC1=CC2=C(C=C1)N(C=C2C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54)CCCN=C=S

InChI

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