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

Systemtic Name: 2-[(4-azanyl-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)thio]acetic acid IUPAC Name: 2-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)thio]acetic acid Formula: C6H10N4O2S MolecularWeight: 202.2342

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1N)SCC(=O)O

Isomeric SMILES

CCC1=NN=C(N1N)SCC(=O)O

InChI

InChI=1S/C6H10N4O2S/c1-2-4-8-9-6(10(4)7)13-3-5(11)12/h2-3,7H2,1H3,(H,11,12)