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

Systemtic Name: propan-2-yl 2-[[4-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: isopropyl 2-[[4-methyl-5-(4-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-methyl-5-[4-(4-morpholinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[4-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-methyl-5-(4-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid isopropyl ester Formula: C18H24N4O5S2 MolecularWeight: 440.53696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC(C)OC(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H24N4O5S2/c1-13(2)27-16(23)12-28-18-20-19-17(21(18)3)14-4-6-15(7-5-14)29(24,25)22-8-10-26-11-9-22/h4-7,13H,8-12H2,1-3H3