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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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