sodium 3-[5-(phenylmethylsulfanyl)-1,2,3,4-tetrazol-1-yl]benzenesulfonate

Systemtic Name: sodium 3-[5-(phenylmethylsulfanyl)-1,2,3,4-tetrazol-1-yl]benzenesulfonate Openeye Name: sodium 3-(5-benzylsulfanyltetrazol-1-yl)benzenesulfonate CAS Name: sodium 3-[5-(phenylmethylthio)-1-tetrazolyl]benzenesulfonate IUPAC Name: sodium 3-(5-benzylsulfanyltetrazol-1-yl)benzenesulfonate Traditional Name: sodium 3-[5-(benzylthio)tetrazol-1-yl]besylate Formula: C14H11N4NaO3S2 MolecularWeight: 370.38191

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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-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=NN2C3=CC(=CC=C3)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C14H12N4O3S2.Na/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);/q;+1/p-1