methyl 2-[[4-(2-ethylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[4-(2-ethylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[4-(2-ethylphenyl)-5-morpholino-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(2-ethylphenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-(2-ethylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(2-ethylphenyl)-5-morpholino-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=NN=C2SCC(=O)OC)N3CCOCC3

Isomeric SMILES

CCC1=CC=CC=C1N2C(=NN=C2SCC(=O)OC)N3CCOCC3

InChI

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