2-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one

Systemtic Name: 2-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Openeye Name: 2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one CAS Name: 2-[[2-oxo-2-(1H-pyrrol-2-yl)ethyl]thio]-3-[3-(trifluoromethyl)phenyl]-4-quinazolinone IUPAC Name: 2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Traditional Name: 2-[[2-keto-2-(1H-pyrrol-2-yl)ethyl]thio]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Formula: C21H14F3N3O2S MolecularWeight: 429.41497

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)C3=CC=CN3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)C3=CC=CN3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H14F3N3O2S/c22-21(23,24)13-5-3-6-14(11-13)27-19(29)15-7-1-2-8-16(15)26-20(27)30-12-18(28)17-9-4-10-25-17/h1-11,25H,12H2