(6-chloranyl-3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)methyl thiocyanate

Systemtic Name: (6-chloranyl-3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)methyl thiocyanate Openeye Name: (6-chloro-3-cyclohexyl-4-oxo-quinazolin-2-yl)methyl thiocyanate CAS Name: thiocyanic acid (6-chloro-3-cyclohexyl-4-oxo-2-quinazolinyl)methyl ester IUPAC Name: (6-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)methyl thiocyanate Traditional Name: thiocyanic acid (6-chloro-3-cyclohexyl-4-keto-quinazolin-2-yl)methyl ester Formula: C16H16ClN3OS MolecularWeight: 333.83574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN3OS/c17-11-6-7-14-13(8-11)16(21)20(12-4-2-1-3-5-12)15(19-14)9-22-10-18/h6-8,12H,1-5,9H2