N-(5-nitro-1,3-thiazol-2-yl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(5-nitro-1,3-thiazol-2-yl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(5-nitrothiazol-2-yl)acetamide CAS Name: N-(5-nitro-2-thiazolyl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]thio]acetamide IUPAC Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(5-nitro-1,3-thiazol-2-yl)acetamide Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(5-nitrothiazol-2-yl)acetamide Formula: C19H16N5O3S2+ MolecularWeight: 426.49204

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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=C(S4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(NC3=CC=CC=C32)SCC(=O)NC4=NC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C19H15N5O3S2/c25-16(22-18-20-10-17(29-18)24(26)27)12-28-19-21-14-8-4-5-9-15(14)23(19)11-13-6-2-1-3-7-13/h1-10H,11-12H2,(H,20,22,25)/p+1