1,1,2,2,3,3,4,4-octadeuterio-1-isothiocyanato-4-methylsulfinyl-butane

Systemtic Name: 1,1,2,2,3,3,4,4-octadeuterio-1-isothiocyanato-4-methylsulfinyl-butane Openeye Name: 1,1,2,2,3,3,4,4-octadeuterio-1-isothiocyanato-4-methylsulfinyl-butane CAS Name: 1,1,2,2,3,3,4,4-octadeuterio-1-isothiocyanato-4-methylsulfinylbutane IUPAC Name: 1,1,2,2,3,3,4,4-octadeuterio-1-isothiocyanato-4-methylsulfinylbutane Traditional Name: 1,1,2,2,3,3,4,4-octadeuterio-1-isothiocyanato-4-methylsulfinyl-butane Formula: C6H11NOS2 MolecularWeight: 185.336934

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)CCCCN=C=S

Isomeric SMILES

[2H]C([2H])(C([2H])([2H])C([2H])([2H])S(=O)C)C([2H])([2H])N=C=S

InChI

InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3/i2D2,3D2,4D2,5D2