5,6-dimethyl-2-[(6-nitro-1H-indol-3-yl)methylsulfanyl]-1H-benzimidazole

Systemtic Name: 5,6-dimethyl-2-[(6-nitro-1H-indol-3-yl)methylsulfanyl]-1H-benzimidazole Openeye Name: 5,6-dimethyl-2-[(6-nitro-1H-indol-3-yl)methylsulfanyl]-1H-benzimidazole CAS Name: 5,6-dimethyl-2-[(6-nitro-1H-indol-3-yl)methylthio]-1H-benzimidazole IUPAC Name: 5,6-dimethyl-2-[(6-nitro-1H-indol-3-yl)methylsulfanyl]-1H-benzimidazole Traditional Name: 5,6-dimethyl-2-[(6-nitro-1H-indol-3-yl)methylthio]-1H-benzimidazole Formula: C18H16N4O2S MolecularWeight: 352.41024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)SCC3=CNC4=C3C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)SCC3=CNC4=C3C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O2S/c1-10-5-16-17(6-11(10)2)21-18(20-16)25-9-12-8-19-15-7-13(22(23)24)3-4-14(12)15/h3-8,19H,9H2,1-2H3,(H,20,21)