4-[5-[(3-bromophenyl)methylsulfanyl]-1,2,3,4-tetrazol-1-yl]benzoic acid

Systemtic Name: 4-[5-[(3-bromophenyl)methylsulfanyl]-1,2,3,4-tetrazol-1-yl]benzoic acid Openeye Name: 4-[5-[(3-bromophenyl)methylsulfanyl]tetrazol-1-yl]benzoic acid CAS Name: 4-[5-[(3-bromophenyl)methylthio]-1-tetrazolyl]benzoic acid IUPAC Name: 4-[5-[(3-bromophenyl)methylsulfanyl]tetrazol-1-yl]benzoic acid Traditional Name: 4-[5-[(3-bromobenzyl)thio]tetrazol-1-yl]benzoic acid Formula: C15H11BrN4O2S MolecularWeight: 391.24244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CSC2=NN=NN2C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)CSC2=NN=NN2C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C15H11BrN4O2S/c16-12-3-1-2-10(8-12)9-23-15-17-18-19-20(15)13-6-4-11(5-7-13)14(21)22/h1-8H,9H2,(H,21,22)