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

Systemtic Name: 4-[2-[[1-(2,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: 4-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[1-(2,4-dimethylphenyl)-5-tetrazolyl]thio]-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]thio]acetyl]amino]benzoate Formula: C18H16N5O3S- MolecularWeight: 382.41634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)[O-])C

InChI

InChI=1S/C18H17N5O3S/c1-11-3-8-15(12(2)9-11)23-18(20-21-22-23)27-10-16(24)19-14-6-4-13(5-7-14)17(25)26/h3-9H,10H2,1-2H3,(H,19,24)(H,25,26)/p-1