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

Systemtic Name: methyl 2-[[5-morpholin-4-yl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[(4-benzyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[[5-(4-morpholinyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[(4-benzyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-benzyl-5-morpholino-1,2,4-triazol-3-yl)thio]acetic acid methyl ester Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)N3CCOCC3

Isomeric SMILES

COC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)N3CCOCC3

InChI

InChI=1S/C16H20N4O3S/c1-22-14(21)12-24-16-18-17-15(19-7-9-23-10-8-19)20(16)11-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3