2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[(6-nitro-1H-benzimidazol-2-yl)thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[(6-nitro-1H-benzimidazol-2-yl)thio]-1-pyrrolidino-ethanone Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O3S/c18-12(16-5-1-2-6-16)8-21-13-14-10-4-3-9(17(19)20)7-11(10)15-13/h3-4,7H,1-2,5-6,8H2,(H,14,15)