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

Systemtic Name: methyl 3-[[4-(4-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl 3-[[5-morpholino-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[4-(4-methylphenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[[4-(4-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[5-morpholino-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)OC)N3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)OC)N3CCOCC3

InChI

InChI=1S/C17H22N4O3S/c1-13-3-5-14(6-4-13)21-16(20-8-10-24-11-9-20)18-19-17(21)25-12-7-15(22)23-2/h3-6H,7-12H2,1-2H3