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

Systemtic Name: methyl 4-[5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoate Openeye Name: methyl 4-[5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoate CAS Name: 4-[5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoate Traditional Name: 4-[5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid methyl ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H20N2O3S/c1-3-4-13-25-17-11-9-15(10-12-17)19-22-21-18(26-19)14-5-7-16(8-6-14)20(23)24-2/h5-12H,3-4,13H2,1-2H3