ethyl 2-[5-(4-methylsulfanylphenyl)-1,2,3,4-tetrazol-2-yl]ethanoate

Systemtic Name: ethyl 2-[5-(4-methylsulfanylphenyl)-1,2,3,4-tetrazol-2-yl]ethanoate Openeye Name: ethyl 2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]acetate CAS Name: 2-[5-[4-(methylthio)phenyl]-2-tetrazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]acetate Traditional Name: 2-[5-[4-(methylthio)phenyl]tetrazol-2-yl]acetic acid ethyl ester Formula: C12H14N4O2S MolecularWeight: 278.33016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1N=C(N=N1)C2=CC=C(C=C2)SC

Isomeric SMILES

CCOC(=O)CN1N=C(N=N1)C2=CC=C(C=C2)SC

InChI

InChI=1S/C12H14N4O2S/c1-3-18-11(17)8-16-14-12(13-15-16)9-4-6-10(19-2)7-5-9/h4-7H,3,8H2,1-2H3