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

Systemtic Name: ethyl 4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]benzoate Openeye Name: ethyl 4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(1-phenyl-5-tetrazolyl)thio]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(1-phenyltetrazol-5-yl)thio]methyl]benzoic acid ethyl ester Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CSC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CSC2=NN=NN2C3=CC=CC=C3

InChI

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