3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methyl-amino]propanethioamide

Systemtic Name: 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methyl-amino]propanethioamide Openeye Name: 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methyl-amino]propanethioamide CAS Name: 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]propanethioamide IUPAC Name: 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]propanethioamide Traditional Name: 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methyl-amino]thiopropionamide Formula: C9H16N4O2S2 MolecularWeight: 276.37894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)S(=O)(=O)N(C)CCC(=S)N

Isomeric SMILES

CC1=C(C(=NN1)C)S(=O)(=O)N(C)CCC(=S)N

InChI

InChI=1S/C9H16N4O2S2/c1-6-9(7(2)12-11-6)17(14,15)13(3)5-4-8(10)16/h4-5H2,1-3H3,(H2,10,16)(H,11,12)