1-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-quinazolin-4-ylsulfanyl-ethanone

Systemtic Name: 1-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-quinazolin-4-ylsulfanyl-ethanone Openeye Name: 1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-quinazolin-4-ylsulfanyl-ethanone CAS Name: 1-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-(4-quinazolinylthio)ethanone IUPAC Name: 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-quinazolin-4-ylsulfanylethanone Traditional Name: 1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(quinazolin-4-ylthio)ethanone Formula: C19H21N3OS MolecularWeight: 339.45454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)CSC2=NC=NC3=CC=CC=C32

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)CSC2=NC=NC3=CC=CC=C32

InChI

InChI=1S/C19H21N3OS/c1-12(2)22-13(3)9-16(14(22)4)18(23)10-24-19-15-7-5-6-8-17(15)20-11-21-19/h5-9,11-12H,10H2,1-4H3