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

Systemtic Name: pentyl 2-[2-[(5-oxidanylidene-2H-1,2,4-triazin-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: pentyl 2-[[2-[(5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[(5-oxo-2H-1,2,4-triazin-3-yl)thio]ethyl]amino]benzoic acid pentyl ester IUPAC Name: pentyl 2-[[2-[(5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[(5-keto-2H-1,2,4-triazin-3-yl)thio]acetyl]amino]benzoic acid amyl ester Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC(=O)C=NN2

Isomeric SMILES

CCCCCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC(=O)C=NN2

InChI

InChI=1S/C17H20N4O4S/c1-2-3-6-9-25-16(24)12-7-4-5-8-13(12)19-15(23)11-26-17-20-14(22)10-18-21-17/h4-5,7-8,10H,2-3,6,9,11H2,1H3,(H,19,23)(H,20,21,22)