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

Systemtic Name: methyl 4-[[1-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[1-(4-isopropylphenyl)tetrazol-5-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[1-(4-propan-2-ylphenyl)-5-tetrazolyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[(1-p-cumenyltetrazol-5-yl)thio]methyl]benzoic acid methyl ester Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C19H20N4O2S/c1-13(2)15-8-10-17(11-9-15)23-19(20-21-22-23)26-12-14-4-6-16(7-5-14)18(24)25-3/h4-11,13H,12H2,1-3H3