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

Systemtic Name: methyl 2-[[4-methyl-5-[(thiophen-2-ylcarbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[4-methyl-5-[(thiophene-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-methyl-5-[[[oxo(thiophen-2-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-methyl-5-[(thiophene-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-methyl-5-[(2-thenoylamino)methyl]-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C12H14N4O3S2 MolecularWeight: 326.39456

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)OC)CNC(=O)C2=CC=CS2

Isomeric SMILES

CN1C(=NN=C1SCC(=O)OC)CNC(=O)C2=CC=CS2

InChI

InChI=1S/C12H14N4O3S2/c1-16-9(6-13-11(18)8-4-3-5-20-8)14-15-12(16)21-7-10(17)19-2/h3-5H,6-7H2,1-2H3,(H,13,18)