3-[[5-[(4-chloranyl-2-methyl-phenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate

Systemtic Name: 3-[[5-[(4-chloranyl-2-methyl-phenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: 3-[[5-[(4-chloro-2-methyl-phenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[5-[(4-chloro-2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]benzoate IUPAC Name: 3-[[5-[(4-chloro-2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[5-[(4-chloro-2-methyl-phenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]benzoate Formula: C18H14ClN2O4S- MolecularWeight: 389.83276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCC2=NN=C(O2)SCC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCC2=NN=C(O2)SCC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C18H15ClN2O4S/c1-11-7-14(19)5-6-15(11)24-9-16-20-21-18(25-16)26-10-12-3-2-4-13(8-12)17(22)23/h2-8H,9-10H2,1H3,(H,22,23)/p-1