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

Systemtic Name: methyl 4-[5-(4-hexoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoate Openeye Name: methyl 4-[5-(4-hexoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoate CAS Name: 4-[5-(4-hexoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-(4-hexoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoate Traditional Name: 4-[5-(4-hexoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid methyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H24N2O3S/c1-3-4-5-6-15-27-19-13-11-17(12-14-19)21-24-23-20(28-21)16-7-9-18(10-8-16)22(25)26-2/h7-14H,3-6,15H2,1-2H3