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

Systemtic Name: methyl 3-[[1-(2-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[1-(2-ethoxyphenyl)-5-tetrazolyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[(1-o-phenetyltetrazol-5-yl)thio]methyl]benzoic acid methyl ester Formula: C18H18N4O3S MolecularWeight: 370.42552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=NN=N2)SCC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=NN=N2)SCC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C18H18N4O3S/c1-3-25-16-10-5-4-9-15(16)22-18(19-20-21-22)26-12-13-7-6-8-14(11-13)17(23)24-2/h4-11H,3,12H2,1-2H3