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

Systemtic Name: methyl 2-[[4-(2-azanyl-2-oxidanylidene-ethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[4-(2-amino-2-oxo-ethyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(2-amino-2-oxoethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-(2-amino-2-oxoethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(2-amino-2-keto-ethyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C11H12N4O3S2 MolecularWeight: 312.36798

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NN=C(N1CC(=O)N)C2=CC=CS2

Isomeric SMILES

COC(=O)CSC1=NN=C(N1CC(=O)N)C2=CC=CS2

InChI

InChI=1S/C11H12N4O3S2/c1-18-9(17)6-20-11-14-13-10(7-3-2-4-19-7)15(11)5-8(12)16/h2-4H,5-6H2,1H3,(H2,12,16)