1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanone

Systemtic Name: 1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]ethanone Formula: C19H16F3N3O2S MolecularWeight: 407.40945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C19H16F3N3O2S/c1-9-15(11(3)26)10(2)23-16(9)14(27)8-28-17-12-6-4-5-7-13(12)24-18(25-17)19(20,21)22/h4-7,23H,8H2,1-3H3