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

Systemtic Name: 2-[(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-6-(2-thienyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methylthio]-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[(6-chloro-4-keto-1H-quinazolin-2-yl)methylthio]-6-(2-thienyl)-4-(trifluoromethyl)nicotinonitrile Formula: C20H10ClF3N4OS2 MolecularWeight: 478.89781

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl

Isomeric SMILES

C1=CSC(=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl

InChI

InChI=1S/C20H10ClF3N4OS2/c21-10-3-4-14-11(6-10)18(29)28-17(26-14)9-31-19-12(8-25)13(20(22,23)24)7-15(27-19)16-2-1-5-30-16/h1-7H,9H2,(H,26,28,29)