[3,5-dicyano-4,4-dimethyl-6-(thiocyanatomethyl)-1H-pyridin-2-yl]methyl thiocyanate

Systemtic Name: [3,5-dicyano-4,4-dimethyl-6-(thiocyanatomethyl)-1H-pyridin-2-yl]methyl thiocyanate Openeye Name: [3,5-dicyano-4,4-dimethyl-6-(thiocyanatomethyl)-1H-pyridin-2-yl]methyl thiocyanate CAS Name: thiocyanic acid [3,5-dicyano-4,4-dimethyl-6-(thiocyanatomethyl)-1H-pyridin-2-yl]methyl ester IUPAC Name: [3,5-dicyano-4,4-dimethyl-6-(thiocyanatomethyl)-1H-pyridin-2-yl]methyl thiocyanate Traditional Name: thiocyanic acid [3,5-dicyano-4,4-dimethyl-6-(thiocyanatomethyl)-1H-pyridin-2-yl]methyl ester Formula: C13H11N5S2 MolecularWeight: 301.38994

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(NC(=C1C#N)CSC#N)CSC#N)C#N)C

Isomeric SMILES

CC1(C(=C(NC(=C1C#N)CSC#N)CSC#N)C#N)C

InChI

InChI=1S/C13H11N5S2/c1-13(2)9(3-14)11(5-19-7-16)18-12(6-20-8-17)10(13)4-15/h18H,5-6H2,1-2H3