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

Systemtic Name: methyl 2-[2-[[4-(3-fluorophenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[[4-(3-fluorophenyl)-5-morpholino-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate CAS Name: 2-[[2-[[4-(3-fluorophenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[[4-(3-fluorophenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate Traditional Name: 2-[[2-[[4-(3-fluorophenyl)-5-morpholino-1,2,4-triazol-3-yl]thio]acetyl]amino]acetic acid methyl ester Formula: C17H20FN5O4S MolecularWeight: 409.435203

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)CSC1=NN=C(N1C2=CC(=CC=C2)F)N3CCOCC3

Isomeric SMILES

COC(=O)CNC(=O)CSC1=NN=C(N1C2=CC(=CC=C2)F)N3CCOCC3

InChI

InChI=1S/C17H20FN5O4S/c1-26-15(25)10-19-14(24)11-28-17-21-20-16(22-5-7-27-8-6-22)23(17)13-4-2-3-12(18)9-13/h2-4,9H,5-8,10-11H2,1H3,(H,19,24)