3-(1H-indol-3-yl)-4-(3-methyl-2-phenylsulfanyl-imidazol-4-yl)pyrrole-2,5-dione

Systemtic Name: 3-(1H-indol-3-yl)-4-(3-methyl-2-phenylsulfanyl-imidazol-4-yl)pyrrole-2,5-dione Openeye Name: 3-(1H-indol-3-yl)-4-(3-methyl-2-phenylsulfanyl-imidazol-4-yl)pyrrole-2,5-dione CAS Name: 3-(1H-indol-3-yl)-4-[3-methyl-2-(phenylthio)-4-imidazolyl]pyrrole-2,5-dione IUPAC Name: 3-(1H-indol-3-yl)-4-(3-methyl-2-phenylsulfanylimidazol-4-yl)pyrrole-2,5-dione Traditional Name: 3-(1H-indol-3-yl)-4-[3-methyl-2-(phenylthio)imidazol-4-yl]-3-pyrroline-2,5-quinone Formula: C22H16N4O2S MolecularWeight: 400.45304

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1SC2=CC=CC=C2)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54

Isomeric SMILES

CN1C(=CN=C1SC2=CC=CC=C2)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C22H16N4O2S/c1-26-17(12-24-22(26)29-13-7-3-2-4-8-13)19-18(20(27)25-21(19)28)15-11-23-16-10-6-5-9-14(15)16/h2-12,23H,1H3,(H,25,27,28)