4-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[(4-isobutyl-5-morpholino-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid CAS Name: 4-[[[4-(2-methylpropyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid IUPAC Name: 4-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[(4-isobutyl-5-morpholino-1,2,4-triazol-3-yl)thio]methyl]benzoic acid Formula: C18H24N4O3S MolecularWeight: 376.47316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)O)N3CCOCC3

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)O)N3CCOCC3

InChI

InChI=1S/C18H24N4O3S/c1-13(2)11-22-17(21-7-9-25-10-8-21)19-20-18(22)26-12-14-3-5-15(6-4-14)16(23)24/h3-6,13H,7-12H2,1-2H3,(H,23,24)