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

Systemtic Name: 5-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: 5-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-[[(5-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]-2-thiophenecarboxylate IUPAC Name: 5-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-[[(5-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]-2-thenoate Formula: C11H12N3O2S2- MolecularWeight: 282.36188

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC2=CC=C(S2)C(=O)[O-]

Isomeric SMILES

CCCC1=NC(=NN1)SCC2=CC=C(S2)C(=O)[O-]

InChI

InChI=1S/C11H13N3O2S2/c1-2-3-9-12-11(14-13-9)17-6-7-4-5-8(18-7)10(15)16/h4-5H,2-3,6H2,1H3,(H,15,16)(H,12,13,14)/p-1