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

Systemtic Name: methyl 3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoate Openeye Name: methyl 3-(1-phenyltetrazol-5-yl)sulfanylpropanoate CAS Name: 3-[(1-phenyl-5-tetrazolyl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-(1-phenyltetrazol-5-yl)sulfanylpropanoate Traditional Name: 3-[(1-phenyltetrazol-5-yl)thio]propionic acid methyl ester Formula: C11H12N4O2S MolecularWeight: 264.30358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N4O2S/c1-17-10(16)7-8-18-11-12-13-14-15(11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3