3-[3-[2,3-bis(oxidanyl)propylsulfanyl]phenyl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione

Systemtic Name: 3-[3-[2,3-bis(oxidanyl)propylsulfanyl]phenyl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione Openeye Name: 3-[3-(2,3-dihydroxypropylsulfanyl)phenyl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione CAS Name: 3-[3-(2,3-dihydroxypropylthio)phenyl]-4-(1-methyl-3-indolyl)pyrrole-2,5-dione IUPAC Name: 3-[3-(2,3-dihydroxypropylsulfanyl)phenyl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione Traditional Name: 3-[3-(glycerylthio)phenyl]-4-(1-methylindol-3-yl)-3-pyrroline-2,5-quinone Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CC(=CC=C4)SCC(CO)O

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CC(=CC=C4)SCC(CO)O

InChI

InChI=1S/C22H20N2O4S/c1-24-10-17(16-7-2-3-8-18(16)24)20-19(21(27)23-22(20)28)13-5-4-6-15(9-13)29-12-14(26)11-25/h2-10,14,25-26H,11-12H2,1H3,(H,23,27,28)