2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-pyrimidin-2-yl-ethanamide

Systemtic Name: 2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-pyrimidin-2-yl-ethanamide Openeye Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-pyrimidin-2-yl-acetamide CAS Name: 2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]thio]-N-(2-pyrimidinyl)acetamide IUPAC Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(2-pyrimidyl)acetamide Formula: C20H18N5OS+ MolecularWeight: 376.45482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(NC3=CC=CC=C32)SCC(=O)NC4=NC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(NC3=CC=CC=C32)SCC(=O)NC4=NC=CC=N4

InChI

InChI=1S/C20H17N5OS/c26-18(24-19-21-11-6-12-22-19)14-27-20-23-16-9-4-5-10-17(16)25(20)13-15-7-2-1-3-8-15/h1-12H,13-14H2,(H,21,22,24,26)/p+1