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

Systemtic Name: 2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-6-(2-thienyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[(4-oxo-1H-quinazolin-2-yl)methylthio]-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[(4-keto-1H-quinazolin-2-yl)methylthio]-6-(2-thienyl)-4-(trifluoromethyl)nicotinonitrile Formula: C20H11F3N4OS2 MolecularWeight: 444.45275

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)CSC3=C(C(=CC(=N3)C4=CC=CS4)C(F)(F)F)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)CSC3=C(C(=CC(=N3)C4=CC=CS4)C(F)(F)F)C#N

InChI

InChI=1S/C20H11F3N4OS2/c21-20(22,23)13-8-15(16-6-3-7-29-16)26-19(12(13)9-24)30-10-17-25-14-5-2-1-4-11(14)18(28)27-17/h1-8H,10H2,(H,25,27,28)