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

Systemtic Name: methyl 4-[[4-(2-azanyl-2-oxidanylidene-ethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[4-(2-amino-2-oxo-ethyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-(2-amino-2-oxoethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(2-amino-2-oxoethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-(2-amino-2-keto-ethyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C17H16N4O3S2 MolecularWeight: 388.46394

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2CC(=O)N)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2CC(=O)N)C3=CC=CS3

InChI

InChI=1S/C17H16N4O3S2/c1-24-16(23)12-6-4-11(5-7-12)10-26-17-20-19-15(13-3-2-8-25-13)21(17)9-14(18)22/h2-8H,9-10H2,1H3,(H2,18,22)