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

Systemtic Name: 2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]benzoate Openeye Name: 2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzoate CAS Name: 2-[(1-phenyl-5-tetrazolyl)methylthio]benzoate IUPAC Name: 2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzoate Traditional Name: 2-[(1-phenyltetrazol-5-yl)methylthio]benzoate Formula: C15H11N4O2S- MolecularWeight: 311.33844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)CSC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)CSC3=CC=CC=C3C(=O)[O-]

InChI

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