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

Systemtic Name: methyl 4-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C16H14N4O3S2 MolecularWeight: 374.43736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O3S2/c1-23-15(22)10-4-6-11(7-5-10)17-13(21)9-25-16-18-14(19-20-16)12-3-2-8-24-12/h2-8H,9H2,1H3,(H,17,21)(H,18,19,20)