methyl 4-[[1-(thiophen-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[1-(thiophen-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[1-(2-thienylmethyl)tetrazol-5-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[1-(thiophen-2-ylmethyl)-5-tetrazolyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[1-(2-thenyl)tetrazol-5-yl]thio]methyl]benzoic acid methyl ester Formula: C15H14N4O2S2 MolecularWeight: 346.42726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN=NN2CC3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=NN2CC3=CC=CS3

InChI

InChI=1S/C15H14N4O2S2/c1-21-14(20)12-6-4-11(5-7-12)10-23-15-16-17-18-19(15)9-13-3-2-8-22-13/h2-8H,9-10H2,1H3