2-[2-(cyanomethyl)-4-(cyanomethylidene)-5-ethyl-5-methyl-1,3-oxathiolan-2-yl]butan-2-yl thiocyanate

Systemtic Name: 2-[2-(cyanomethyl)-4-(cyanomethylidene)-5-ethyl-5-methyl-1,3-oxathiolan-2-yl]butan-2-yl thiocyanate Openeye Name: [1-[2-(cyanomethyl)-4-(cyanomethylene)-5-ethyl-5-methyl-1,3-oxathiolan-2-yl]-1-methyl-propyl] thiocyanate CAS Name: thiocyanic acid 2-[2-(cyanomethyl)-4-(cyanomethylidene)-5-ethyl-5-methyl-1,3-oxathiolan-2-yl]butan-2-yl ester IUPAC Name: 2-[2-(cyanomethyl)-4-(cyanomethylidene)-5-ethyl-5-methyl-1,3-oxathiolan-2-yl]butan-2-yl thiocyanate Traditional Name: thiocyanic acid [1-[2-(cyanomethyl)-4-(cyanomethylene)-5-ethyl-5-methyl-1,3-oxathiolan-2-yl]-1-methyl-propyl] ester Formula: C15H19N3OS2 MolecularWeight: 321.46086

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=CC#N)SC(O1)(CC#N)C(C)(CC)SC#N)C

Isomeric SMILES

CCC1(C(=CC#N)SC(O1)(CC#N)C(C)(CC)SC#N)C

InChI

InChI=1S/C15H19N3OS2/c1-5-13(3)12(7-9-16)21-15(19-13,8-10-17)14(4,6-2)20-11-18/h7H,5-6,8H2,1-4H3