6-methyl-2-[(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-methyl-2-[(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-methyl-2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-methyl-2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylthio]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-methyl-2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[(4-keto-8-methyl-1H-quinazolin-2-yl)methylthio]-6-methyl-4-(trifluoromethyl)nicotinonitrile Formula: C18H13F3N4OS MolecularWeight: 390.38223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)CSC3=C(C(=CC(=N3)C)C(F)(F)F)C#N

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)CSC3=C(C(=CC(=N3)C)C(F)(F)F)C#N

InChI

InChI=1S/C18H13F3N4OS/c1-9-4-3-5-11-15(9)24-14(25-16(11)26)8-27-17-12(7-22)13(18(19,20)21)6-10(2)23-17/h3-6H,8H2,1-2H3,(H,24,25,26)