(4-methyl-3-oxidanidyl-2,3-dihydroquinazolin-3-ium-2-yl)methyl thiocyanate

Systemtic Name: (4-methyl-3-oxidanidyl-2,3-dihydroquinazolin-3-ium-2-yl)methyl thiocyanate Openeye Name: (4-methyl-3-oxido-2,3-dihydroquinazolin-3-ium-2-yl)methyl thiocyanate CAS Name: thiocyanic acid (4-methyl-3-oxido-2,3-dihydroquinazolin-3-ium-2-yl)methyl ester IUPAC Name: (4-methyl-3-oxido-2,3-dihydroquinazolin-3-ium-2-yl)methyl thiocyanate Traditional Name: thiocyanic acid (4-methyl-3-oxido-2,3-dihydroquinazolin-3-ium-2-yl)methyl ester Formula: C11H11N3OS MolecularWeight: 233.28954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC=CC2=NC([NH+]1[O-])CSC#N

Isomeric SMILES

CC1=C2C=CC=CC2=NC([NH+]1[O-])CSC#N

InChI

InChI=1S/C11H11N3OS/c1-8-9-4-2-3-5-10(9)13-11(14(8)15)6-16-7-12/h2-5,11,14H,6H2,1H3