3-[5-(phenylmethylsulfanyl)-1,2,3,4-tetrazol-1-yl]benzenesulfonic acid

Systemtic Name: 3-[5-(phenylmethylsulfanyl)-1,2,3,4-tetrazol-1-yl]benzenesulfonic acid Openeye Name: 3-(5-benzylsulfanyltetrazol-1-yl)benzenesulfonic acid CAS Name: 3-[5-(phenylmethylthio)-1-tetrazolyl]benzenesulfonic acid IUPAC Name: 3-(5-benzylsulfanyltetrazol-1-yl)benzenesulfonic acid Traditional Name: 3-[5-(benzylthio)tetrazol-1-yl]besylic acid Formula: C14H12N4O3S2 MolecularWeight: 348.40008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N4O3S2/c19-23(20,21)13-8-4-7-12(9-13)18-14(15-16-17-18)22-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,19,20,21)