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

Systemtic Name: methyl 4-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[(4-isobutyl-5-morpholino-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 4-[[[4-(2-methylpropyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[(4-isobutyl-5-morpholino-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester Formula: C19H26N4O3S MolecularWeight: 390.49974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O3S/c1-14(2)12-23-18(22-8-10-26-11-9-22)20-21-19(23)27-13-15-4-6-16(7-5-15)17(24)25-3/h4-7,14H,8-13H2,1-3H3