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

Systemtic Name: 4-[5-(phenylmethylsulfanyl)-1,2,3,4-tetrazol-1-yl]benzoate Openeye Name: 4-(5-benzylsulfanyltetrazol-1-yl)benzoate CAS Name: 4-[5-(phenylmethylthio)-1-tetrazolyl]benzoate IUPAC Name: 4-(5-benzylsulfanyltetrazol-1-yl)benzoate Traditional Name: 4-[5-(benzylthio)tetrazol-1-yl]benzoate Formula: C15H11N4O2S- MolecularWeight: 311.33844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=NN2C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=NN2C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C15H12N4O2S/c20-14(21)12-6-8-13(9-7-12)19-15(16-17-18-19)22-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,20,21)/p-1