methyl 3-[2-[[5-[(4-chloranyl-3-methyl-phenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[[5-[(4-chloranyl-3-methyl-phenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[[5-[(4-chloro-3-methyl-phenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[[5-[(4-chloro-3-methylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[[5-[(4-chloro-3-methylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[[5-[(4-chloro-3-methyl-phenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C22H23ClN4O4S MolecularWeight: 474.96042

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)OC)COC3=CC(=C(C=C3)Cl)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)OC)COC3=CC(=C(C=C3)Cl)C

InChI

InChI=1S/C22H23ClN4O4S/c1-4-27-19(12-31-17-8-9-18(23)14(2)10-17)25-26-22(27)32-13-20(28)24-16-7-5-6-15(11-16)21(29)30-3/h5-11H,4,12-13H2,1-3H3,(H,24,28)