methyl 3-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C15H18N4O3S MolecularWeight: 334.39342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC(=O)NC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CCCC1=NC(=NN1)SCC(=O)NC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C15H18N4O3S/c1-3-5-12-17-15(19-18-12)23-9-13(20)16-11-7-4-6-10(8-11)14(21)22-2/h4,6-8H,3,5,9H2,1-2H3,(H,16,20)(H,17,18,19)