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

Systemtic Name: methyl 4-[5-(4-cyclohexylphenyl)-1,3,4-thiadiazol-2-yl]benzoate Openeye Name: methyl 4-[5-(4-cyclohexylphenyl)-1,3,4-thiadiazol-2-yl]benzoate CAS Name: 4-[5-(4-cyclohexylphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-(4-cyclohexylphenyl)-1,3,4-thiadiazol-2-yl]benzoate Traditional Name: 4-[5-(4-cyclohexylphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid methyl ester Formula: C22H22N2O2S MolecularWeight: 378.48728

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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)C4CCCCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C22H22N2O2S/c1-26-22(25)19-13-11-18(12-14-19)21-24-23-20(27-21)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-15H,2-6H2,1H3