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

Systemtic Name: butyl 4-[2-[(5-oxidanylidene-2H-1,2,4-triazin-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[(5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(5-oxo-2H-1,2,4-triazin-3-yl)thio]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5-keto-2H-1,2,4-triazin-3-yl)thio]acetyl]amino]benzoic acid butyl ester Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C=NN2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C=NN2

InChI

InChI=1S/C16H18N4O4S/c1-2-3-8-24-15(23)11-4-6-12(7-5-11)18-14(22)10-25-16-19-13(21)9-17-20-16/h4-7,9H,2-3,8,10H2,1H3,(H,18,22)(H,19,20,21)