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

Systemtic Name: 2-[(2-methoxy-6-pentadecyl-phenyl)methylsulfanyl]-6-nitro-1H-benzimidazole Openeye Name: 2-[(2-methoxy-6-pentadecyl-phenyl)methylsulfanyl]-6-nitro-1H-benzimidazole CAS Name: 2-[(2-methoxy-6-pentadecylphenyl)methylthio]-6-nitro-1H-benzimidazole IUPAC Name: 2-[(2-methoxy-6-pentadecylphenyl)methylsulfanyl]-6-nitro-1H-benzimidazole Traditional Name: 2-[(2-methoxy-6-pentadecyl-benzyl)thio]-6-nitro-1H-benzimidazole Formula: C30H43N3O3S MolecularWeight: 525.74572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H43N3O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-24-18-16-19-29(36-2)26(24)23-37-30-31-27-21-20-25(33(34)35)22-28(27)32-30/h16,18-22H,3-15,17,23H2,1-2H3,(H,31,32)