2-(5-chloranyl-1-propan-2-yl-benzimidazol-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(5-chloranyl-1-propan-2-yl-benzimidazol-2-yl)sulfanylethanoic acid Openeye Name: 2-(5-chloro-1-isopropyl-benzimidazol-2-yl)sulfanylacetic acid CAS Name: 2-[(5-chloro-1-propan-2-yl-2-benzimidazolyl)thio]acetic acid IUPAC Name: 2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)sulfanylacetic acid Traditional Name: 2-[(5-chloro-1-isopropyl-benzimidazol-2-yl)thio]acetic acid Formula: C12H13ClN2O2S MolecularWeight: 284.76182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=C(C=C2)Cl)N=C1SCC(=O)O

Isomeric SMILES

CC(C)N1C2=C(C=C(C=C2)Cl)N=C1SCC(=O)O

InChI

InChI=1S/C12H13ClN2O2S/c1-7(2)15-10-4-3-8(13)5-9(10)14-12(15)18-6-11(16)17/h3-5,7H,6H2,1-2H3,(H,16,17)