2-[3-[2,5-bis(trifluoromethyl)phenyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[3-[2,5-bis(trifluoromethyl)phenyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-[2,5-bis(trifluoromethyl)phenyl]-4-oxo-quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-[2,5-bis(trifluoromethyl)phenyl]-4-oxo-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[3-[2,5-bis(trifluoromethyl)phenyl]-4-oxoquinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[3-[2,5-bis(trifluoromethyl)phenyl]-4-keto-quinazolin-2-yl]thio]acetonitrile Formula: C18H9F6N3OS MolecularWeight: 429.338979

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H9F6N3OS/c19-17(20,21)10-5-6-12(18(22,23)24)14(9-10)27-15(28)11-3-1-2-4-13(11)26-16(27)29-8-7-25/h1-6,9H,8H2