2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]benzoic acid

Systemtic Name: 2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]benzoic acid Openeye Name: 2-(1-phenyltetrazol-5-yl)sulfanylbenzoic acid CAS Name: 2-[(1-phenyl-5-tetrazolyl)thio]benzoic acid IUPAC Name: 2-(1-phenyltetrazol-5-yl)sulfanylbenzoic acid Traditional Name: 2-[(1-phenyltetrazol-5-yl)thio]benzoic acid Formula: C14H10N4O2S MolecularWeight: 298.3198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C14H10N4O2S/c19-13(20)11-8-4-5-9-12(11)21-14-15-16-17-18(14)10-6-2-1-3-7-10/h1-9H,(H,19,20)