5-(dimethylcarbamoylamino)-3-pentylsulfanyl-1H-pyrazole-4-carboxylic acid

Systemtic Name: 5-(dimethylcarbamoylamino)-3-pentylsulfanyl-1H-pyrazole-4-carboxylic acid Openeye Name: 5-(dimethylcarbamoylamino)-3-pentylsulfanyl-1H-pyrazole-4-carboxylic acid CAS Name: 5-[[dimethylamino(oxo)methyl]amino]-3-(pentylthio)-1H-pyrazole-4-carboxylic acid IUPAC Name: 5-(dimethylcarbamoylamino)-3-pentylsulfanyl-1H-pyrazole-4-carboxylic acid Traditional Name: 3-(amylthio)-5-(dimethylcarbamoylamino)-1H-pyrazole-4-carboxylic acid Formula: C12H20N4O3S MolecularWeight: 300.3772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NNC(=C1C(=O)O)NC(=O)N(C)C

Isomeric SMILES

CCCCCSC1=NNC(=C1C(=O)O)NC(=O)N(C)C

InChI

InChI=1S/C12H20N4O3S/c1-4-5-6-7-20-10-8(11(17)18)9(14-15-10)13-12(19)16(2)3/h4-7H2,1-3H3,(H,17,18)(H2,13,14,15,19)