2-[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C17H10ClF3N4OS MolecularWeight: 410.80071

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=C(C=C(C=N3)C(F)(F)F)Cl)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=C(C=C(C=N3)C(F)(F)F)Cl)CC#N

InChI

InChI=1S/C17H10ClF3N4OS/c18-12-7-10(17(19,20)21)8-23-15(12)27-9-14-24-13-4-2-1-3-11(13)16(26)25(14)6-5-22/h1-4,7-8H,6,9H2