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

Systemtic Name: methyl 3-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: methyl 3-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 3-[[[4-ethyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC(=C2)C(=O)OC)N3CCOCC3

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC(=C2)C(=O)OC)N3CCOCC3

InChI

InChI=1S/C17H22N4O3S/c1-3-21-16(20-7-9-24-10-8-20)18-19-17(21)25-12-13-5-4-6-14(11-13)15(22)23-2/h4-6,11H,3,7-10,12H2,1-2H3