1-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-imidazo[1,5-a]pyridin-3-ylsulfanyl-ethanone

Systemtic Name: 1-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-imidazo[1,5-a]pyridin-3-ylsulfanyl-ethanone Openeye Name: 2-imidazo[1,5-a]pyridin-3-ylsulfanyl-1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone CAS Name: 1-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-(3-imidazo[1,5-a]pyridinylthio)ethanone IUPAC Name: 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylethanone Traditional Name: 2-(imidazo[1,5-a]pyridin-3-ylthio)-1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)CSC2=NC=C3N2C=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)CSC2=NC=C3N2C=CC=C3

InChI

InChI=1S/C18H21N3OS/c1-12(2)21-13(3)9-16(14(21)4)17(22)11-23-18-19-10-15-7-5-6-8-20(15)18/h5-10,12H,11H2,1-4H3