methyl 2-[[1-(4-butylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[1-(4-butylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylacetate CAS Name: 2-[[1-(4-butylphenyl)-5-tetrazolyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylacetate Traditional Name: 2-[[1-(4-butylphenyl)tetrazol-5-yl]thio]acetic acid methyl ester Formula: C14H18N4O2S MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)OC

InChI

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