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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1C2=CC=CC(=C2)C)N3CCOCC3

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1C2=CC=CC(=C2)C)N3CCOCC3

InChI

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