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

Systemtic Name: hexyl 4-[2-[(5-oxidanylidene-2H-1,2,4-triazin-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: hexyl 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 hexyl ester IUPAC Name: hexyl 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 hexyl ester Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O4S/c1-2-3-4-5-10-26-17(25)13-6-8-14(9-7-13)20-16(24)12-27-18-21-15(23)11-19-22-18/h6-9,11H,2-5,10,12H2,1H3,(H,20,24)(H,21,22,23)