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

Systemtic Name: methyl 4-[5-(4-pentylphenyl)-1,3,4-thiadiazol-2-yl]benzoate Openeye Name: methyl 4-[5-(4-pentylphenyl)-1,3,4-thiadiazol-2-yl]benzoate CAS Name: 4-[5-(4-pentylphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-(4-pentylphenyl)-1,3,4-thiadiazol-2-yl]benzoate Traditional Name: 4-[5-(4-amylphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid methyl ester Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H22N2O2S/c1-3-4-5-6-15-7-9-16(10-8-15)19-22-23-20(26-19)17-11-13-18(14-12-17)21(24)25-2/h7-14H,3-6H2,1-2H3