(4-methyl-3-oxidanylidene-4H-quinazolin-3-ium-2-yl)methyl thiocyanate

Systemtic Name: (4-methyl-3-oxidanylidene-4H-quinazolin-3-ium-2-yl)methyl thiocyanate Openeye Name: (4-methyl-3-oxo-4H-quinazolin-3-ium-2-yl)methyl thiocyanate CAS Name: thiocyanic acid (4-methyl-3-oxo-4H-quinazolin-3-ium-2-yl)methyl ester IUPAC Name: (4-methyl-3-oxo-4H-quinazolin-3-ium-2-yl)methyl thiocyanate Traditional Name: thiocyanic acid (3-keto-4-methyl-4H-quinazolin-3-ium-2-yl)methyl ester Formula: C11H10N3OS+ MolecularWeight: 232.2816

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2N=C([N+]1=O)CSC#N

Isomeric SMILES

CC1C2=CC=CC=C2N=C([N+]1=O)CSC#N

InChI

InChI=1S/C11H10N3OS/c1-8-9-4-2-3-5-10(9)13-11(14(8)15)6-16-7-12/h2-5,8H,6H2,1H3/q+1