(3-cyano-4,6-dimethyl-2-sulfanylidene-pyridin-1-yl)methyl-methyl-(phenylmethyl)azanium

Systemtic Name: (3-cyano-4,6-dimethyl-2-sulfanylidene-pyridin-1-yl)methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(3-cyano-4,6-dimethyl-2-thioxo-1-pyridyl)methyl]-methyl-ammonium CAS Name: (3-cyano-4,6-dimethyl-2-sulfanylidene-1-pyridinyl)methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(3-cyano-4,6-dimethyl-2-sulfanylidenepyridin-1-yl)methyl]-methylazanium Traditional Name: benzyl-[(3-cyano-4,6-dimethyl-2-thioxo-1-pyridyl)methyl]-methyl-ammonium Formula: C17H20N3S+ MolecularWeight: 298.4258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=S)N1C[NH+](C)CC2=CC=CC=C2)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=S)N1C[NH+](C)CC2=CC=CC=C2)C#N)C

InChI

InChI=1S/C17H19N3S/c1-13-9-14(2)20(17(21)16(13)10-18)12-19(3)11-15-7-5-4-6-8-15/h4-9H,11-12H2,1-3H3/p+1