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

Systemtic Name: methyl 3-[2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[(5-isopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(5-isopropyl-4-propyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C18H24N4O3S MolecularWeight: 376.47316

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)OC)C(C)C

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)OC)C(C)C

InChI

InChI=1S/C18H24N4O3S/c1-5-9-22-16(12(2)3)20-21-18(22)26-11-15(23)19-14-8-6-7-13(10-14)17(24)25-4/h6-8,10,12H,5,9,11H2,1-4H3,(H,19,23)