[4-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)phenyl] thiocyanate

Systemtic Name: [4-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)phenyl] thiocyanate Openeye Name: [4-(6,7-dimethoxy-4-oxo-quinazolin-3-yl)phenyl] thiocyanate CAS Name: thiocyanic acid [4-(6,7-dimethoxy-4-oxo-3-quinazolinyl)phenyl] ester IUPAC Name: [4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)phenyl] thiocyanate Traditional Name: thiocyanic acid [4-(4-keto-6,7-dimethoxy-quinazolin-3-yl)phenyl] ester Formula: C17H13N3O3S MolecularWeight: 339.36842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C=N2)C3=CC=C(C=C3)SC#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C=N2)C3=CC=C(C=C3)SC#N)OC

InChI

InChI=1S/C17H13N3O3S/c1-22-15-7-13-14(8-16(15)23-2)19-10-20(17(13)21)11-3-5-12(6-4-11)24-9-18/h3-8,10H,1-2H3