2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1-(1,2-dimethylindol-3-yl)ethanone

Systemtic Name: 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1-(1,2-dimethylindol-3-yl)ethanone Openeye Name: 2-(benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1-(1,2-dimethylindol-3-yl)ethanone CAS Name: 2-(4-benzofuro[3,2-d]pyrimidinylthio)-1-(1,2-dimethyl-3-indolyl)ethanone IUPAC Name: 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1-(1,2-dimethylindol-3-yl)ethanone Traditional Name: 2-(benzofuro[3,2-d]pyrimidin-4-ylthio)-1-(1,2-dimethylindol-3-yl)ethanone Formula: C22H17N3O2S MolecularWeight: 387.45428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1C)C(=O)CSC3=NC=NC4=C3OC5=CC=CC=C54

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1C)C(=O)CSC3=NC=NC4=C3OC5=CC=CC=C54

InChI

InChI=1S/C22H17N3O2S/c1-13-19(14-7-3-5-9-16(14)25(13)2)17(26)11-28-22-21-20(23-12-24-22)15-8-4-6-10-18(15)27-21/h3-10,12H,11H2,1-2H3