3-(1-methylindol-3-yl)-4-[1-[3-[[(Z)-1-methylsulfanyl-2-nitro-ethenyl]amino]propyl]indol-3-yl]pyrrole-2,5-dione

Systemtic Name: 3-(1-methylindol-3-yl)-4-[1-[3-[[(Z)-1-methylsulfanyl-2-nitro-ethenyl]amino]propyl]indol-3-yl]pyrrole-2,5-dione Openeye Name: 3-(1-methylindol-3-yl)-4-[1-[3-[[(Z)-1-methylsulfanyl-2-nitro-vinyl]amino]propyl]indol-3-yl]pyrrole-2,5-dione CAS Name: 3-(1-methyl-3-indolyl)-4-[1-[3-[[(Z)-1-(methylthio)-2-nitroethenyl]amino]propyl]-3-indolyl]pyrrole-2,5-dione IUPAC Name: 3-(1-methylindol-3-yl)-4-[1-[3-[[(Z)-1-methylsulfanyl-2-nitroethenyl]amino]propyl]indol-3-yl]pyrrole-2,5-dione Traditional Name: 3-(1-methylindol-3-yl)-4-[1-[3-[[(Z)-1-(methylthio)-2-nitro-vinyl]amino]propyl]indol-3-yl]-3-pyrroline-2,5-quinone Formula: C27H25N5O4S MolecularWeight: 515.5835

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCNC(=C[N+](=O)[O-])SC

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCN/C(=C/[N+](=O)[O-])/SC

InChI

InChI=1S/C27H25N5O4S/c1-30-14-19(17-8-3-5-10-21(17)30)24-25(27(34)29-26(24)33)20-15-31(22-11-6-4-9-18(20)22)13-7-12-28-23(37-2)16-32(35)36/h3-6,8-11,14-16,28H,7,12-13H2,1-2H3,(H,29,33,34)/b23-16-