1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-(2-methylquinazolin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-(2-methylquinazolin-4-yl)sulfanyl-ethanone Openeye Name: 1-[2,5-dimethyl-1-(5-methylisoxazol-3-yl)pyrrol-3-yl]-2-(2-methylquinazolin-4-yl)sulfanyl-ethanone CAS Name: 1-[2,5-dimethyl-1-(5-methyl-3-isoxazolyl)-3-pyrrolyl]-2-[(2-methyl-4-quinazolinyl)thio]ethanone IUPAC Name: 1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-(2-methylquinazolin-4-yl)sulfanylethanone Traditional Name: 1-[2,5-dimethyl-1-(5-methylisoxazol-3-yl)pyrrol-3-yl]-2-[(2-methylquinazolin-4-yl)thio]ethanone Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NOC(=C2)C)C)C(=O)CSC3=NC(=NC4=CC=CC=C43)C

Isomeric SMILES

CC1=CC(=C(N1C2=NOC(=C2)C)C)C(=O)CSC3=NC(=NC4=CC=CC=C43)C

InChI

InChI=1S/C21H20N4O2S/c1-12-9-17(14(3)25(12)20-10-13(2)27-24-20)19(26)11-28-21-16-7-5-6-8-18(16)22-15(4)23-21/h5-10H,11H2,1-4H3