[3-cyclohexyl-4-oxidanylidene-6-(trifluoromethyl)quinazolin-2-yl]methyl thiocyanate

Systemtic Name: [3-cyclohexyl-4-oxidanylidene-6-(trifluoromethyl)quinazolin-2-yl]methyl thiocyanate Openeye Name: [3-cyclohexyl-4-oxo-6-(trifluoromethyl)quinazolin-2-yl]methyl thiocyanate CAS Name: thiocyanic acid [3-cyclohexyl-4-oxo-6-(trifluoromethyl)-2-quinazolinyl]methyl ester IUPAC Name: [3-cyclohexyl-4-oxo-6-(trifluoromethyl)quinazolin-2-yl]methyl thiocyanate Traditional Name: thiocyanic acid [3-cyclohexyl-4-keto-6-(trifluoromethyl)quinazolin-2-yl]methyl ester Formula: C17H16F3N3OS MolecularWeight: 367.38865

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NC3=C(C2=O)C=C(C=C3)C(F)(F)F)CSC#N

Isomeric SMILES

C1CCC(CC1)N2C(=NC3=C(C2=O)C=C(C=C3)C(F)(F)F)CSC#N

InChI

InChI=1S/C17H16F3N3OS/c18-17(19,20)11-6-7-14-13(8-11)16(24)23(12-4-2-1-3-5-12)15(22-14)9-25-10-21/h6-8,12H,1-5,9H2