methyl 4-[5-(4-cyclohexyloxyphenyl)-1,3,4-thiadiazol-2-yl]benzoate

Systemtic Name: methyl 4-[5-(4-cyclohexyloxyphenyl)-1,3,4-thiadiazol-2-yl]benzoate Openeye Name: methyl 4-[5-[4-(cyclohexoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzoate CAS Name: 4-[5-(4-cyclohexyloxyphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-(4-cyclohexyloxyphenyl)-1,3,4-thiadiazol-2-yl]benzoate Traditional Name: 4-[5-[4-(cyclohexoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid methyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)OC4CCCCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)OC4CCCCC4

InChI

InChI=1S/C22H22N2O3S/c1-26-22(25)17-9-7-15(8-10-17)20-23-24-21(28-20)16-11-13-19(14-12-16)27-18-5-3-2-4-6-18/h7-14,18H,2-6H2,1H3