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

Systemtic Name: 2-[[4-azanyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-amino-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-amino-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-amino-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-amino-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C9H10N4O2S2 MolecularWeight: 270.3313

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CC2=NN=C(N2N)SCC(=O)O

Isomeric SMILES

C1=CSC(=C1)CC2=NN=C(N2N)SCC(=O)O

InChI

InChI=1S/C9H10N4O2S2/c10-13-7(4-6-2-1-3-16-6)11-12-9(13)17-5-8(14)15/h1-3H,4-5,10H2,(H,14,15)