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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2C(=NNC2=S)C3=CC=CS3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2C(=NNC2=S)C3=CC=CS3

InChI

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