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

Systemtic Name: methyl 3-[2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-(5-phenylthiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanylacetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-[(5-phenyl-3-thiazolo[2,3-c][1,2,4]triazolyl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(5-phenylthiazolo[2,3-c][1,2,4]triazol-3-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C20H16N4O3S2 MolecularWeight: 424.49604

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C3N2C(=CS3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C3N2C(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C20H16N4O3S2/c1-27-18(26)14-8-5-9-15(10-14)21-17(25)12-29-20-23-22-19-24(20)16(11-28-19)13-6-3-2-4-7-13/h2-11H,12H2,1H3,(H,21,25)