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

Systemtic Name: methyl 4-[5-[1-(4-methylphenyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-yl]benzoate Openeye Name: methyl 4-[5-[1-(p-tolyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-yl]benzoate CAS Name: 4-[5-[1-(4-methylphenyl)-4-pyrazolyl]-1,3,4-thiadiazol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[1-(4-methylphenyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-yl]benzoate Traditional Name: 4-[5-[1-(p-tolyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-yl]benzoic acid methyl ester Formula: C20H16N4O2S MolecularWeight: 376.43164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(C=N2)C3=NN=C(S3)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C=N2)C3=NN=C(S3)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C20H16N4O2S/c1-13-3-9-17(10-4-13)24-12-16(11-21-24)19-23-22-18(27-19)14-5-7-15(8-6-14)20(25)26-2/h3-12H,1-2H3