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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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