3-[1-[3-(1H-imidazol-2-ylsulfanyl)propyl]indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione

Systemtic Name: 3-[1-[3-(1H-imidazol-2-ylsulfanyl)propyl]indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione Openeye Name: 3-[1-[3-(1H-imidazol-2-ylsulfanyl)propyl]indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione CAS Name: 3-[1-[3-(1H-imidazol-2-ylthio)propyl]-3-indolyl]-4-(1-methyl-3-indolyl)pyrrole-2,5-dione IUPAC Name: 3-[1-[3-(1H-imidazol-2-ylsulfanyl)propyl]indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione Traditional Name: 3-[1-[3-(1H-imidazol-2-ylthio)propyl]indol-3-yl]-4-(1-methylindol-3-yl)-3-pyrroline-2,5-quinone Formula: C27H23N5O2S MolecularWeight: 481.56882

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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)CCCSC6=NC=CN6

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCSC6=NC=CN6

InChI

InChI=1S/C27H23N5O2S/c1-31-15-19(17-7-2-4-9-21(17)31)23-24(26(34)30-25(23)33)20-16-32(22-10-5-3-8-18(20)22)13-6-14-35-27-28-11-12-29-27/h2-5,7-12,15-16H,6,13-14H2,1H3,(H,28,29)(H,30,33,34)