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

Systemtic Name: methyl 4-[2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C17H16N4O3S2 MolecularWeight: 388.46394

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC)C3=CC=CS3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC)C3=CC=CS3

InChI

InChI=1S/C17H16N4O3S2/c1-21-15(13-4-3-9-25-13)19-20-17(21)26-10-14(22)18-12-7-5-11(6-8-12)16(23)24-2/h3-9H,10H2,1-2H3,(H,18,22)