2-[(4-azanyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(4-azanyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)thio]acetic acid IUPAC Name: 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)thio]acetic acid Formula: C7H12N4O2S MolecularWeight: 216.26078

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1N)SCC(=O)O

Isomeric SMILES

CCCC1=NN=C(N1N)SCC(=O)O

InChI

InChI=1S/C7H12N4O2S/c1-2-3-5-9-10-7(11(5)8)14-4-6(12)13/h2-4,8H2,1H3,(H,12,13)