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

Systemtic Name: S-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl] 4-methylbenzenecarbothioate Openeye Name: S-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl] 4-methylbenzenecarbothioate CAS Name: 4-methylbenzenecarbothioic 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-methylbenzenecarbothioate Traditional Name: 4-methylthiobenzoic acid S-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl] ester Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)SC2=NN=C(O2)C3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)SC2=NN=C(O2)C3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C18H16N2O4S/c1-11-4-6-12(7-5-11)17(21)25-18-20-19-16(24-18)14-9-8-13(22-2)10-15(14)23-3/h4-10H,1-3H3