(1E)-N-(4-methylpyridin-1-ium-1-yl)-2-thiocyanato-propanimidate

Systemtic Name: (1E)-N-(4-methylpyridin-1-ium-1-yl)-2-thiocyanato-propanimidate Openeye Name: (1E)-N-(4-methylpyridin-1-ium-1-yl)-2-thiocyanato-propanimidate CAS Name: (1E)-N-(4-methyl-1-pyridin-1-iumyl)-2-thiocyanatopropanimidate IUPAC Name: (1E)-N-(4-methylpyridin-1-ium-1-yl)-2-thiocyanatopropanimidate Traditional Name: (1E)-N-(4-methylpyridin-1-ium-1-yl)-2-thiocyanato-propionimidate Formula: C10H11N3OS MolecularWeight: 221.27884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)N=C(C(C)SC#N)[O-]

Isomeric SMILES

CC1=CC=[N+](C=C1)/N=C(\C(C)SC#N)/[O-]

InChI

InChI=1S/C10H11N3OS/c1-8-3-5-13(6-4-8)12-10(14)9(2)15-7-11/h3-6,9H,1-2H3