(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)methyl thiocyanate

Systemtic Name: (4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)methyl thiocyanate Openeye Name: (3-allyl-4-oxo-quinazolin-2-yl)methyl thiocyanate CAS Name: thiocyanic acid (4-oxo-3-prop-2-enyl-2-quinazolinyl)methyl ester IUPAC Name: (4-oxo-3-prop-2-enylquinazolin-2-yl)methyl thiocyanate Traditional Name: thiocyanic acid (3-allyl-4-keto-quinazolin-2-yl)methyl ester Formula: C13H11N3OS MolecularWeight: 257.31094

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NC2=CC=CC=C2C1=O)CSC#N

Isomeric SMILES

C=CCN1C(=NC2=CC=CC=C2C1=O)CSC#N

InChI

InChI=1S/C13H11N3OS/c1-2-7-16-12(8-18-9-14)15-11-6-4-3-5-10(11)13(16)17/h2-6H,1,7-8H2