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

Systemtic Name: 1,1,2,2,3,3,4,4-octadeuterio-1-isothiocyanato-4-methylsulfanyl-butane Openeye Name: 1,1,2,2,3,3,4,4-octadeuterio-1-isothiocyanato-4-methylsulfanyl-butane CAS Name: 1,1,2,2,3,3,4,4-octadeuterio-1-isothiocyanato-4-(methylthio)butane IUPAC Name: 1,1,2,2,3,3,4,4-octadeuterio-1-isothiocyanato-4-methylsulfanylbutane Traditional Name: 1,1,2,2,3,3,4,4-octadeuterio-1-isothiocyanato-4-(methylthio)butane Formula: C6H11NS2 MolecularWeight: 169.337534

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCCN=C=S

Isomeric SMILES

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

InChI

InChI=1S/C6H11NS2/c1-9-5-3-2-4-7-6-8/h2-5H2,1H3/i2D2,3D2,4D2,5D2