5-[(4-azanyl-5-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylate

Systemtic Name: 5-[(4-azanyl-5-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: 5-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-[[(4-amino-5-ethyl-1,2,4-triazol-3-yl)thio]methyl]-2-thiophenecarboxylate IUPAC Name: 5-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-[[(4-amino-5-ethyl-1,2,4-triazol-3-yl)thio]methyl]-2-thenoate Formula: C10H11N4O2S2- MolecularWeight: 283.34994

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1N)SCC2=CC=C(S2)C(=O)[O-]

Isomeric SMILES

CCC1=NN=C(N1N)SCC2=CC=C(S2)C(=O)[O-]

InChI

InChI=1S/C10H12N4O2S2/c1-2-8-12-13-10(14(8)11)17-5-6-3-4-7(18-6)9(15)16/h3-4H,2,5,11H2,1H3,(H,15,16)/p-1