2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]benzoic acid

Systemtic Name: 2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]benzoic acid Openeye Name: 2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]benzoic acid CAS Name: 2-[(1-cyclopropyl-5-tetrazolyl)methylthio]benzoic acid IUPAC Name: 2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]benzoic acid Traditional Name: 2-[(1-cyclopropyltetrazol-5-yl)methylthio]benzoic acid Formula: C12H12N4O2S MolecularWeight: 276.31428

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=N2)CSC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CC1N2C(=NN=N2)CSC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C12H12N4O2S/c17-12(18)9-3-1-2-4-10(9)19-7-11-13-14-15-16(11)8-5-6-8/h1-4,8H,5-7H2,(H,17,18)