S-(cyanomethyl) N-(2-methylpyridin-1-ium-1-yl)carbamothioate

Systemtic Name: S-(cyanomethyl) N-(2-methylpyridin-1-ium-1-yl)carbamothioate Openeye Name: S-(cyanomethyl) N-(2-methylpyridin-1-ium-1-yl)carbamothioate CAS Name: N-(2-methyl-1-pyridin-1-iumyl)carbamothioic acid S-(cyanomethyl) ester IUPAC Name: S-(cyanomethyl) N-(2-methylpyridin-1-ium-1-yl)carbamothioate Traditional Name: N-(2-methylpyridin-1-ium-1-yl)thiocarbamic acid S-(cyanomethyl) ester Formula: C9H10N3OS+ MolecularWeight: 208.2602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=[N+]1NC(=O)SCC#N

Isomeric SMILES

CC1=CC=CC=[N+]1NC(=O)SCC#N

InChI

InChI=1S/C9H9N3OS/c1-8-4-2-3-6-12(8)11-9(13)14-7-5-10/h2-4,6H,7H2,1H3/p+1