methyl 4-[[1-(4-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]butanoate

Systemtic Name: methyl 4-[[1-(4-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]butanoate Openeye Name: methyl 4-[1-(p-tolyl)tetrazol-5-yl]sulfanylbutanoate CAS Name: 4-[[1-(4-methylphenyl)-5-tetrazolyl]thio]butanoic acid methyl ester IUPAC Name: methyl 4-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylbutanoate Traditional Name: 4-[[1-(p-tolyl)tetrazol-5-yl]thio]butyric acid methyl ester Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=N2)SCCCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=N2)SCCCC(=O)OC

InChI

InChI=1S/C13H16N4O2S/c1-10-5-7-11(8-6-10)17-13(14-15-16-17)20-9-3-4-12(18)19-2/h5-8H,3-4,9H2,1-2H3