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

Systemtic Name: 4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]benzoic acid Openeye Name: 4-(1-phenyltetrazol-5-yl)sulfanylbenzoic acid CAS Name: 4-[(1-phenyl-5-tetrazolyl)thio]benzoic acid IUPAC Name: 4-(1-phenyltetrazol-5-yl)sulfanylbenzoic acid Traditional Name: 4-[(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=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SC3=CC=C(C=C3)C(=O)O

InChI

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