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

Systemtic Name: methyl 2-[[4-butan-2-yl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-(3-morpholinosulfonylphenyl)-4-sec-butyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-butan-2-yl-5-[3-(4-morpholinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-butan-2-yl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(3-morpholinosulfonylphenyl)-4-sec-butyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C19H26N4O5S2 MolecularWeight: 454.56354

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=NN=C1SCC(=O)OC)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCC(C)N1C(=NN=C1SCC(=O)OC)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C19H26N4O5S2/c1-4-14(2)23-18(20-21-19(23)29-13-17(24)27-3)15-6-5-7-16(12-15)30(25,26)22-8-10-28-11-9-22/h5-7,12,14H,4,8-11,13H2,1-3H3