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

Systemtic Name: 4-[[1-(4-aminocarbonylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]benzoate Openeye Name: 4-[[1-(4-carbamoylphenyl)tetrazol-5-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[1-(4-carbamoylphenyl)-5-tetrazolyl]thio]methyl]benzoate IUPAC Name: 4-[[1-(4-carbamoylphenyl)tetrazol-5-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[1-(4-carbamoylphenyl)tetrazol-5-yl]thio]methyl]benzoate Formula: C16H12N5O3S- MolecularWeight: 354.36318

Click to see the large picture

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)/p-1