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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=N2)SCC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1CC1N2C(=NN=N2)SCC3=CC=CC(=C3)C(=O)O

InChI

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