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

Systemtic Name: methyl 4-[[1-(2-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[1-(2-ethoxyphenyl)-5-tetrazolyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[(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=C(C=C3)C(=O)OC

Isomeric SMILES

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

InChI

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