3-[[(2S)-1-oxidanylsulfonothioyloxypropan-2-yl]amino]propanenitrile

Systemtic Name: 3-[[(2S)-1-oxidanylsulfonothioyloxypropan-2-yl]amino]propanenitrile Openeye Name: 3-[[(1S)-2-hydroxysulfonothioyloxy-1-methyl-ethyl]amino]propanenitrile CAS Name: 3-[[(2S)-1-hydroxysulfonothioyloxypropan-2-yl]amino]propanenitrile IUPAC Name: 3-[[(2S)-1-hydroxysulfonothioyloxypropan-2-yl]amino]propanenitrile Traditional Name: 3-[[(1S)-2-hydroxysulfonothioyloxy-1-methyl-ethyl]amino]propionitrile Formula: C6H12N2O3S2 MolecularWeight: 224.30108

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Descriptors Computed from Structure

Canonical SMILES:

CC(COS(=O)(=S)O)NCCC#N

Isomeric SMILES

C[C@@H](COS(=O)(=S)O)NCCC#N

InChI

InChI=1S/C6H12N2O3S2/c1-6(8-4-2-3-7)5-11-13(9,10)12/h6,8H,2,4-5H2,1H3,(H,9,10,12)/t6-/m0/s1