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

Systemtic Name: 4-chloranyl-3-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: 4-chloro-3-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-chloro-3-[[1-oxo-2-[(1-phenyl-5-tetrazolyl)thio]ethyl]amino]benzoate IUPAC Name: 4-chloro-3-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-chloro-3-[[2-[(1-phenyltetrazol-5-yl)thio]acetyl]amino]benzoate Formula: C16H11ClN5O3S- MolecularWeight: 388.80824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN5O3S/c17-12-7-6-10(15(24)25)8-13(12)18-14(23)9-26-16-19-20-21-22(16)11-4-2-1-3-5-11/h1-8H,9H2,(H,18,23)(H,24,25)/p-1