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

Systemtic Name: methyl 2-[[5-(3-morpholin-4-ylsulfonylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl 2-[[4-allyl-5-(3-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 2-[[5-[3-(4-morpholinylsulfonyl)phenyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-[[5-(3-morpholin-4-ylsulfonylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 2-[[4-allyl-5-(3-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C19H24N4O5S2 MolecularWeight: 452.54766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NN=C(N1CC=C)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC(C(=O)OC)SC1=NN=C(N1CC=C)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C19H24N4O5S2/c1-4-8-23-17(20-21-19(23)29-14(2)18(24)27-3)15-6-5-7-16(13-15)30(25,26)22-9-11-28-12-10-22/h4-7,13-14H,1,8-12H2,2-3H3