2-[(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-[(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methylthio]-6-methyl-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[(6-chloro-4-keto-1H-quinazolin-2-yl)methylthio]-6-methyl-4-(trifluoromethyl)nicotinonitrile Formula: C17H10ClF3N4OS MolecularWeight: 410.80071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC2=NC(=O)C3=C(N2)C=CC(=C3)Cl

Isomeric SMILES

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC2=NC(=O)C3=C(N2)C=CC(=C3)Cl

InChI

InChI=1S/C17H10ClF3N4OS/c1-8-4-12(17(19,20)21)11(6-22)16(23-8)27-7-14-24-13-3-2-9(18)5-10(13)15(26)25-14/h2-5H,7H2,1H3,(H,24,25,26)