(7-chloranyl-4-oxidanylidene-3-phenyl-quinazolin-2-yl)methyl thiocyanate

Systemtic Name: (7-chloranyl-4-oxidanylidene-3-phenyl-quinazolin-2-yl)methyl thiocyanate Openeye Name: (7-chloro-4-oxo-3-phenyl-quinazolin-2-yl)methyl thiocyanate CAS Name: thiocyanic acid (7-chloro-4-oxo-3-phenyl-2-quinazolinyl)methyl ester IUPAC Name: (7-chloro-4-oxo-3-phenylquinazolin-2-yl)methyl thiocyanate Traditional Name: thiocyanic acid (7-chloro-4-keto-3-phenyl-quinazolin-2-yl)methyl ester Formula: C16H10ClN3OS MolecularWeight: 327.7881

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=CC(=C3)Cl)CSC#N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=CC(=C3)Cl)CSC#N

InChI

InChI=1S/C16H10ClN3OS/c17-11-6-7-13-14(8-11)19-15(9-22-10-18)20(16(13)21)12-4-2-1-3-5-12/h1-8H,9H2