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

Systemtic Name: methyl 3-[2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetyl]amino]benzoate Traditional Name: 3-[[2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]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(=CC=C1)NC(=O)CN2C(=NNC2=S)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CN2C(=NNC2=S)C3=CC=CS3

InChI

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