4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]thiazole-2-carboxylic acid CAS Name: 4-[[(1-phenyl-5-tetrazolyl)thio]methyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[[(1-phenyltetrazol-5-yl)thio]methyl]thiazole-2-carboxylic acid Formula: C12H9N5O2S2 MolecularWeight: 319.36216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CSC(=N3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CSC(=N3)C(=O)O

InChI

InChI=1S/C12H9N5O2S2/c18-11(19)10-13-8(6-20-10)7-21-12-14-15-16-17(12)9-4-2-1-3-5-9/h1-6H,7H2,(H,18,19)