methyl 3-[[1-(4-ethylphenyl)-1,2,3,4-tetrazol-5-yl]methylsulfanyl]propanoate

Systemtic Name: methyl 3-[[1-(4-ethylphenyl)-1,2,3,4-tetrazol-5-yl]methylsulfanyl]propanoate Openeye Name: methyl 3-[[1-(4-ethylphenyl)tetrazol-5-yl]methylsulfanyl]propanoate CAS Name: 3-[[1-(4-ethylphenyl)-5-tetrazolyl]methylthio]propanoic acid methyl ester IUPAC Name: methyl 3-[[1-(4-ethylphenyl)tetrazol-5-yl]methylsulfanyl]propanoate Traditional Name: 3-[[1-(4-ethylphenyl)tetrazol-5-yl]methylthio]propionic 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)CSCCC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O2S/c1-3-11-4-6-12(7-5-11)18-13(15-16-17-18)10-21-9-8-14(19)20-2/h4-7H,3,8-10H2,1-2H3