5-azanyl-3-pentylsulfanyl-pyrazole-1,4-dicarboxylic acid

Systemtic Name: 5-azanyl-3-pentylsulfanyl-pyrazole-1,4-dicarboxylic acid Openeye Name: 5-amino-3-pentylsulfanyl-pyrazole-1,4-dicarboxylic acid CAS Name: 5-amino-3-(pentylthio)pyrazole-1,4-dicarboxylic acid IUPAC Name: 5-amino-3-pentylsulfanylpyrazole-1,4-dicarboxylic acid Traditional Name: 5-amino-3-(amylthio)pyrazole-1,4-dicarboxylic acid Formula: C10H15N3O4S MolecularWeight: 273.3088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NN(C(=C1C(=O)O)N)C(=O)O

Isomeric SMILES

CCCCCSC1=NN(C(=C1C(=O)O)N)C(=O)O

InChI

InChI=1S/C10H15N3O4S/c1-2-3-4-5-18-8-6(9(14)15)7(11)13(12-8)10(16)17/h2-5,11H2,1H3,(H,14,15)(H,16,17)