methyl 4-methyl-3-[2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-methyl-3-[[1-oxo-2-[(4-pentyl-1,2,4-triazol-3-yl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(4-amyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C18H24N4O3S MolecularWeight: 376.47316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN=C1SCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C

Isomeric SMILES

CCCCCN1C=NN=C1SCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C

InChI

InChI=1S/C18H24N4O3S/c1-4-5-6-9-22-12-19-21-18(22)26-11-16(23)20-15-10-14(17(24)25-3)8-7-13(15)2/h7-8,10,12H,4-6,9,11H2,1-3H3,(H,20,23)