methyl 4-[5-(thiocyanatomethyl)-1,2,4-oxadiazol-3-yl]benzoate

Systemtic Name: methyl 4-[5-(thiocyanatomethyl)-1,2,4-oxadiazol-3-yl]benzoate Openeye Name: methyl 4-[5-(thiocyanatomethyl)-1,2,4-oxadiazol-3-yl]benzoate CAS Name: 4-[5-(thiocyanatomethyl)-1,2,4-oxadiazol-3-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-(thiocyanatomethyl)-1,2,4-oxadiazol-3-yl]benzoate Traditional Name: 4-[5-(thiocyanatomethyl)-1,2,4-oxadiazol-3-yl]benzoic acid methyl ester Formula: C12H9N3O3S MolecularWeight: 275.28316

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=NOC(=N2)CSC#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=NOC(=N2)CSC#N

InChI

InChI=1S/C12H9N3O3S/c1-17-12(16)9-4-2-8(3-5-9)11-14-10(18-15-11)6-19-7-13/h2-5H,6H2,1H3