methyl 4-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyloxymethyl]benzoate

Systemtic Name: methyl 4-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyloxymethyl]benzoate Openeye Name: methyl 4-[[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]oxymethyl]benzoate CAS Name: 4-[[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]oxymethyl]benzoate Traditional Name: 4-[[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetyl]oxymethyl]benzoic acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OCC2=CC=C(C=C2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OCC2=CC=C(C=C2)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4S/c1-3-24-19(16-7-5-4-6-8-16)22-23-21(24)29-14-18(25)28-13-15-9-11-17(12-10-15)20(26)27-2/h4-12H,3,13-14H2,1-2H3