propan-2-yl 2-[[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoate

Systemtic Name: propan-2-yl 2-[[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoate Openeye Name: isopropyl 2-(1-benzyltetrazol-5-yl)sulfanylacetate CAS Name: 2-[[1-(phenylmethyl)-5-tetrazolyl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(1-benzyltetrazol-5-yl)sulfanylacetate Traditional Name: 2-[(1-benzyltetrazol-5-yl)thio]acetic acid isopropyl ester Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CSC1=NN=NN1CC2=CC=CC=C2

Isomeric SMILES

CC(C)OC(=O)CSC1=NN=NN1CC2=CC=CC=C2

InChI

InChI=1S/C13H16N4O2S/c1-10(2)19-12(18)9-20-13-14-15-16-17(13)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3