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

Systemtic Name: 4-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(1-cyclopropyl-5-tetrazolyl)thio]methyl]benzoic acid IUPAC Name: 4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(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=C(C=C3)C(=O)O

Isomeric SMILES

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

InChI

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