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

Systemtic Name: methyl 2-[2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[(4-pentyl-1,2,4-triazol-3-yl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[(4-amyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CCCCCN1C=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C17H22N4O3S/c1-3-4-7-10-21-12-18-20-17(21)25-11-15(22)19-14-9-6-5-8-13(14)16(23)24-2/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3,(H,19,22)