1-[5-nitro-2-(2-oxidanylidenepropylsulfanyl)benzimidazol-1-yl]propan-2-one

Systemtic Name: 1-[5-nitro-2-(2-oxidanylidenepropylsulfanyl)benzimidazol-1-yl]propan-2-one Openeye Name: 1-(2-acetonylsulfanyl-5-nitro-benzimidazol-1-yl)propan-2-one CAS Name: 1-[5-nitro-2-(2-oxopropylthio)-1-benzimidazolyl]-2-propanone IUPAC Name: 1-[5-nitro-2-(2-oxopropylsulfanyl)benzimidazol-1-yl]propan-2-one Traditional Name: 1-[2-(acetonylthio)-5-nitro-benzimidazol-1-yl]acetone Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1SCC(=O)C

Isomeric SMILES

CC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1SCC(=O)C

InChI

InChI=1S/C13H13N3O4S/c1-8(17)6-15-12-4-3-10(16(19)20)5-11(12)14-13(15)21-7-9(2)18/h3-5H,6-7H2,1-2H3