2-[(2-ethoxy-6-pentadecyl-phenyl)methylsulfanyl]-6-nitro-1H-benzimidazole

Systemtic Name: 2-[(2-ethoxy-6-pentadecyl-phenyl)methylsulfanyl]-6-nitro-1H-benzimidazole Openeye Name: 2-[(2-ethoxy-6-pentadecyl-phenyl)methylsulfanyl]-6-nitro-1H-benzimidazole CAS Name: 2-[(2-ethoxy-6-pentadecylphenyl)methylthio]-6-nitro-1H-benzimidazole IUPAC Name: 2-[(2-ethoxy-6-pentadecylphenyl)methylsulfanyl]-6-nitro-1H-benzimidazole Traditional Name: 2-[(2-ethoxy-6-pentadecyl-benzyl)thio]-6-nitro-1H-benzimidazole Formula: C31H45N3O3S MolecularWeight: 539.7723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OCC)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OCC)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C31H45N3O3S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-25-19-17-20-30(37-4-2)27(25)24-38-31-32-28-22-21-26(34(35)36)23-29(28)33-31/h17,19-23H,3-16,18,24H2,1-2H3,(H,32,33)