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

Systemtic Name: methyl 4-[2-[(3-oxidanylidene-2H-1,2,4-triazin-5-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(3-oxo-2H-1,2,4-triazin-5-yl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(3-keto-2H-1,2,4-triazin-5-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C13H12N4O4S MolecularWeight: 320.32378

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)NN=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)NN=C2

InChI

InChI=1S/C13H12N4O4S/c1-21-12(19)8-2-4-9(5-3-8)15-10(18)7-22-11-6-14-17-13(20)16-11/h2-6H,7H2,1H3,(H,15,18)(H,16,17,20)