(4-methyl-3-oxidanidyl-quinazolin-3-ium-2-yl)methyl thiocyanate

Systemtic Name: (4-methyl-3-oxidanidyl-quinazolin-3-ium-2-yl)methyl thiocyanate Openeye Name: (4-methyl-3-oxido-quinazolin-3-ium-2-yl)methyl thiocyanate CAS Name: thiocyanic acid (4-methyl-3-oxido-2-quinazolin-3-iumyl)methyl ester IUPAC Name: (4-methyl-3-oxidoquinazolin-3-ium-2-yl)methyl thiocyanate Traditional Name: thiocyanic acid (4-methyl-3-oxido-quinazolin-3-ium-2-yl)methyl ester Formula: C11H9N3OS MolecularWeight: 231.27366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=NC2=CC=CC=C12)CSC#N)[O-]

Isomeric SMILES

CC1=[N+](C(=NC2=CC=CC=C12)CSC#N)[O-]

InChI

InChI=1S/C11H9N3OS/c1-8-9-4-2-3-5-10(9)13-11(14(8)15)6-16-7-12/h2-5H,6H2,1H3