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

Systemtic Name: pentyl 4-[2-[(6-methyl-5-oxidanylidene-2H-1,2,4-triazin-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: pentyl 4-[[2-[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)thio]-1-oxoethyl]amino]benzoic acid pentyl ester IUPAC Name: pentyl 4-[[2-[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5-keto-6-methyl-2H-1,2,4-triazin-3-yl)thio]acetyl]amino]benzoic acid amyl ester Formula: C18H22N4O4S MolecularWeight: 390.45668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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