(6-chloranyl-3-oxidanyl-4-phenyl-quinazolin-3-ium-2-yl)methyl thiocyanate

Systemtic Name: (6-chloranyl-3-oxidanyl-4-phenyl-quinazolin-3-ium-2-yl)methyl thiocyanate Openeye Name: (6-chloro-3-hydroxy-4-phenyl-quinazolin-3-ium-2-yl)methyl thiocyanate CAS Name: thiocyanic acid (6-chloro-3-hydroxy-4-phenyl-2-quinazolin-3-iumyl)methyl ester IUPAC Name: (6-chloro-3-hydroxy-4-phenylquinazolin-3-ium-2-yl)methyl thiocyanate Traditional Name: thiocyanic acid (6-chloro-3-hydroxy-4-phenyl-quinazolin-3-ium-2-yl)methyl ester Formula: C16H11ClN3OS+ MolecularWeight: 328.79604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=[N+](C(=NC3=C2C=C(C=C3)Cl)CSC#N)O

Isomeric SMILES

C1=CC=C(C=C1)C2=[N+](C(=NC3=C2C=C(C=C3)Cl)CSC#N)O

InChI

InChI=1S/C16H11ClN3OS/c17-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)20(21)15(19-14)9-22-10-18/h1-8,21H,9H2/q+1