4-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3-thiazole-2-carboxylic acid Openeye Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)thiazole-2-carboxylic acid CAS Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-2-thiazolecarboxylic acid IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[(1H-benzimidazol-2-ylthio)methyl]thiazole-2-carboxylic acid Formula: C12H9N3O2S2 MolecularWeight: 291.34876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC3=CSC(=N3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC3=CSC(=N3)C(=O)O

InChI

InChI=1S/C12H9N3O2S2/c16-11(17)10-13-7(5-18-10)6-19-12-14-8-3-1-2-4-9(8)15-12/h1-5H,6H2,(H,14,15)(H,16,17)