methyl 2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: methyl 2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C9H9N3O2S2 MolecularWeight: 255.31666

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NNC(=N1)C2=CC=CS2

Isomeric SMILES

COC(=O)CSC1=NNC(=N1)C2=CC=CS2

InChI

InChI=1S/C9H9N3O2S2/c1-14-7(13)5-16-9-10-8(11-12-9)6-3-2-4-15-6/h2-4H,5H2,1H3,(H,10,11,12)