methyl 5-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C13H11N3O3S2 MolecularWeight: 321.37474

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NNC(=N2)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NNC(=N2)C3=CC=CS3

InChI

InChI=1S/C13H11N3O3S2/c1-18-12(17)9-5-4-8(19-9)7-21-13-14-11(15-16-13)10-3-2-6-20-10/h2-6H,7H2,1H3,(H,14,15,16)