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

Systemtic Name: 4-[[1-(3,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]benzoate Openeye Name: 4-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[1-(3,4-dimethylphenyl)-5-tetrazolyl]thio]methyl]benzoate IUPAC Name: 4-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[1-(3,4-dimethylphenyl)tetrazol-5-yl]thio]methyl]benzoate Formula: C17H15N4O2S- MolecularWeight: 339.3916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=N2)SCC3=CC=C(C=C3)C(=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=N2)SCC3=CC=C(C=C3)C(=O)[O-])C

InChI

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