4-[[1-(4-aminocarbonylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[1-(4-aminocarbonylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[1-(4-carbamoylphenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[1-(4-carbamoylphenyl)-5-tetrazolyl]thio]methyl]benzoic acid IUPAC Name: 4-[[1-(4-carbamoylphenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[1-(4-carbamoylphenyl)tetrazol-5-yl]thio]methyl]benzoic acid Formula: C16H13N5O3S MolecularWeight: 355.37112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NN=NN2C3=CC=C(C=C3)C(=O)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CSC2=NN=NN2C3=CC=C(C=C3)C(=O)N)C(=O)O

InChI

InChI=1S/C16H13N5O3S/c17-14(22)11-5-7-13(8-6-11)21-16(18-19-20-21)25-9-10-1-3-12(4-2-10)15(23)24/h1-8H,9H2,(H2,17,22)(H,23,24)