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

Systemtic Name: methyl 4-[5-[(2-methylphenyl)methylsulfanyl]-1,2,3,4-tetrazol-1-yl]benzoate Openeye Name: methyl 4-[5-(o-tolylmethylsulfanyl)tetrazol-1-yl]benzoate CAS Name: 4-[5-[(2-methylphenyl)methylthio]-1-tetrazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[(2-methylphenyl)methylsulfanyl]tetrazol-1-yl]benzoate Traditional Name: 4-[5-[(2-methylbenzyl)thio]tetrazol-1-yl]benzoic acid methyl ester Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NN=NN2C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1CSC2=NN=NN2C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C17H16N4O2S/c1-12-5-3-4-6-14(12)11-24-17-18-19-20-21(17)15-9-7-13(8-10-15)16(22)23-2/h3-10H,11H2,1-2H3