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

Systemtic Name: methyl 4-[[1-(4-ethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]butanoate Openeye Name: methyl 4-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylbutanoate CAS Name: 4-[[1-(4-ethylphenyl)-5-tetrazolyl]thio]butanoic acid methyl ester IUPAC Name: methyl 4-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylbutanoate Traditional Name: 4-[[1-(4-ethylphenyl)tetrazol-5-yl]thio]butyric acid methyl ester Formula: C14H18N4O2S MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=NN=N2)SCCCC(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=NN=N2)SCCCC(=O)OC

InChI

InChI=1S/C14H18N4O2S/c1-3-11-6-8-12(9-7-11)18-14(15-16-17-18)21-10-4-5-13(19)20-2/h6-9H,3-5,10H2,1-2H3