2-(5-bromanyl-1-prop-2-enyl-benzimidazol-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(5-bromanyl-1-prop-2-enyl-benzimidazol-2-yl)sulfanylethanoic acid Openeye Name: 2-(1-allyl-5-bromo-benzimidazol-2-yl)sulfanylacetic acid CAS Name: 2-[(5-bromo-1-prop-2-enyl-2-benzimidazolyl)thio]acetic acid IUPAC Name: 2-(5-bromo-1-prop-2-enylbenzimidazol-2-yl)sulfanylacetic acid Traditional Name: 2-[(1-allyl-5-bromo-benzimidazol-2-yl)thio]acetic acid Formula: C12H11BrN2O2S MolecularWeight: 327.19694

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C=C(C=C2)Br)N=C1SCC(=O)O

Isomeric SMILES

C=CCN1C2=C(C=C(C=C2)Br)N=C1SCC(=O)O

InChI

InChI=1S/C12H11BrN2O2S/c1-2-5-15-10-4-3-8(13)6-9(10)14-12(15)18-7-11(16)17/h2-4,6H,1,5,7H2,(H,16,17)