ethyl 3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoate

Systemtic Name: ethyl 3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoate Openeye Name: ethyl 3-(1-phenyltetrazol-5-yl)sulfanylpropanoate CAS Name: 3-[(1-phenyl-5-tetrazolyl)thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-(1-phenyltetrazol-5-yl)sulfanylpropanoate Traditional Name: 3-[(1-phenyltetrazol-5-yl)thio]propionic acid ethyl ester Formula: C12H14N4O2S MolecularWeight: 278.33016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSC1=NN=NN1C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCSC1=NN=NN1C2=CC=CC=C2

InChI

InChI=1S/C12H14N4O2S/c1-2-18-11(17)8-9-19-12-13-14-15-16(12)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3