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

Systemtic Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(5-nitro-1,3-thiazol-2-yl)ethanamide Openeye Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(5-nitrothiazol-2-yl)acetamide CAS Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(5-nitro-2-thiazolyl)acetamide IUPAC Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(5-nitro-1,3-thiazol-2-yl)acetamide Traditional Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(5-nitrothiazol-2-yl)acetamide Formula: C13H12N5O3S2+ MolecularWeight: 350.39608

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NC3=NC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NC3=NC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C13H11N5O3S2/c1-17-9-5-3-2-4-8(9)15-13(17)22-7-10(19)16-12-14-6-11(23-12)18(20)21/h2-6H,7H2,1H3,(H,14,16,19)/p+1