2-[2-(cyanomethyl)-4-(cyanomethylidene)-5,5-dimethyl-1,3-oxathiolan-2-yl]propan-2-yl thiocyanate

Systemtic Name: 2-[2-(cyanomethyl)-4-(cyanomethylidene)-5,5-dimethyl-1,3-oxathiolan-2-yl]propan-2-yl thiocyanate Openeye Name: [1-[2-(cyanomethyl)-4-(cyanomethylene)-5,5-dimethyl-1,3-oxathiolan-2-yl]-1-methyl-ethyl] thiocyanate CAS Name: thiocyanic acid 2-[2-(cyanomethyl)-4-(cyanomethylidene)-5,5-dimethyl-1,3-oxathiolan-2-yl]propan-2-yl ester IUPAC Name: 2-[2-(cyanomethyl)-4-(cyanomethylidene)-5,5-dimethyl-1,3-oxathiolan-2-yl]propan-2-yl thiocyanate Traditional Name: thiocyanic acid [1-[2-(cyanomethyl)-4-(cyanomethylene)-5,5-dimethyl-1,3-oxathiolan-2-yl]-1-methyl-ethyl] ester Formula: C13H15N3OS2 MolecularWeight: 293.4077

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=CC#N)SC(O1)(CC#N)C(C)(C)SC#N)C

Isomeric SMILES

CC1(C(=CC#N)SC(O1)(CC#N)C(C)(C)SC#N)C

InChI

InChI=1S/C13H15N3OS2/c1-11(2)10(5-7-14)19-13(17-11,6-8-15)12(3,4)18-9-16/h5H,6H2,1-4H3