cyanomethyl 2-[[1-(2-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoate

Systemtic Name: cyanomethyl 2-[[1-(2-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoate Openeye Name: cyanomethyl 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetate CAS Name: 2-[[1-(2-ethoxyphenyl)-5-tetrazolyl]thio]acetic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetate Traditional Name: 2-[(1-o-phenetyltetrazol-5-yl)thio]acetic acid cyanomethyl ester Formula: C13H13N5O3S MolecularWeight: 319.33902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=NN=N2)SCC(=O)OCC#N

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=NN=N2)SCC(=O)OCC#N

InChI

InChI=1S/C13H13N5O3S/c1-2-20-11-6-4-3-5-10(11)18-13(15-16-17-18)22-9-12(19)21-8-7-14/h3-6H,2,8-9H2,1H3