methyl 3-[[1-(4-chlorophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]propanoate

Systemtic Name: methyl 3-[[1-(4-chlorophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]propanoate Openeye Name: methyl 3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylpropanoate CAS Name: 3-[[1-(4-chlorophenyl)-5-tetrazolyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylpropanoate Traditional Name: 3-[[1-(4-chlorophenyl)tetrazol-5-yl]thio]propionic acid methyl ester Formula: C11H11ClN4O2S MolecularWeight: 298.74864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=NN=NN1C2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)CCSC1=NN=NN1C2=CC=C(C=C2)Cl

InChI

InChI=1S/C11H11ClN4O2S/c1-18-10(17)6-7-19-11-13-14-15-16(11)9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3