propan-2-yl 4-[2-[(5-oxidanylidene-6-phenyl-2H-1,2,4-triazin-3-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: propan-2-yl 4-[2-[(5-oxidanylidene-6-phenyl-2H-1,2,4-triazin-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-[(5-oxo-6-phenyl-2H-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(5-oxo-6-phenyl-2H-1,2,4-triazin-3-yl)thio]ethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-[(5-oxo-6-phenyl-2H-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5-keto-6-phenyl-2H-1,2,4-triazin-3-yl)thio]acetyl]amino]benzoic acid isopropyl ester Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C(=NN2)C3=CC=CC=C3

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C(=NN2)C3=CC=CC=C3

InChI

InChI=1S/C21H20N4O4S/c1-13(2)29-20(28)15-8-10-16(11-9-15)22-17(26)12-30-21-23-19(27)18(24-25-21)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,22,26)(H,23,25,27)