2-[[1-(2-methoxy-5-methyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethyl benzoate

Systemtic Name: 2-[[1-(2-methoxy-5-methyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethyl benzoate Openeye Name: 2-[1-(2-methoxy-5-methyl-phenyl)tetrazol-5-yl]sulfanylethyl benzoate CAS Name: benzoic acid 2-[[1-(2-methoxy-5-methylphenyl)-5-tetrazolyl]thio]ethyl ester IUPAC Name: 2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylethyl benzoate Traditional Name: benzoic acid 2-[[1-(2-methoxy-5-methyl-phenyl)tetrazol-5-yl]thio]ethyl ester Formula: C18H18N4O3S MolecularWeight: 370.42552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=NN=N2)SCCOC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=NN=N2)SCCOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H18N4O3S/c1-13-8-9-16(24-2)15(12-13)22-18(19-20-21-22)26-11-10-25-17(23)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3