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

Systemtic Name: methyl 4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(1-methyl-5-tetrazolyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(1-methyltetrazol-5-yl)thio]methyl]benzoic acid methyl ester Formula: C11H12N4O2S MolecularWeight: 264.30358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CN1C(=NN=N1)SCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C11H12N4O2S/c1-15-11(12-13-14-15)18-7-8-3-5-9(6-4-8)10(16)17-2/h3-6H,7H2,1-2H3