S-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl] 4-tert-butylbenzenecarbothioate

Systemtic Name: S-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl] 4-tert-butylbenzenecarbothioate Openeye Name: S-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl] 4-tert-butylbenzenecarbothioate CAS Name: 4-tert-butylbenzenecarbothioic acid S-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl] ester IUPAC Name: S-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl] 4-tert-butylbenzenecarbothioate Traditional Name: 4-tert-butylthiobenzoic acid S-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)SC2=NN=C(O2)C3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)SC2=NN=C(O2)C3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C21H22N2O4S/c1-21(2,3)14-8-6-13(7-9-14)19(24)28-20-23-22-18(27-20)16-11-10-15(25-4)12-17(16)26-5/h6-12H,1-5H3