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

Systemtic Name: pentyl 4-[2-[(5-oxidanylidene-2H-1,2,4-triazin-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 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 amyl ester Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O4S/c1-2-3-4-9-25-16(24)12-5-7-13(8-6-12)19-15(23)11-26-17-20-14(22)10-18-21-17/h5-8,10H,2-4,9,11H2,1H3,(H,19,23)(H,20,21,22)