methyl 2-[5-(4-cyanophenyl)-1,3,4-thiadiazol-2-yl]ethanoate

Systemtic Name: methyl 2-[5-(4-cyanophenyl)-1,3,4-thiadiazol-2-yl]ethanoate Openeye Name: methyl 2-[5-(4-cyanophenyl)-1,3,4-thiadiazol-2-yl]acetate CAS Name: 2-[5-(4-cyanophenyl)-1,3,4-thiadiazol-2-yl]acetic acid methyl ester IUPAC Name: methyl 2-[5-(4-cyanophenyl)-1,3,4-thiadiazol-2-yl]acetate Traditional Name: 2-[5-(4-cyanophenyl)-1,3,4-thiadiazol-2-yl]acetic acid methyl ester Formula: C12H9N3O2S MolecularWeight: 259.28376

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=NN=C(S1)C2=CC=C(C=C2)C#N

Isomeric SMILES

COC(=O)CC1=NN=C(S1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C12H9N3O2S/c1-17-11(16)6-10-14-15-12(18-10)9-4-2-8(7-13)3-5-9/h2-5H,6H2,1H3