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

Systemtic Name: 2-[(2-methoxy-6-pentadecyl-phenyl)methylsulfanyl]-6-methyl-1H-benzimidazole Openeye Name: 2-[(2-methoxy-6-pentadecyl-phenyl)methylsulfanyl]-6-methyl-1H-benzimidazole CAS Name: 2-[(2-methoxy-6-pentadecylphenyl)methylthio]-6-methyl-1H-benzimidazole IUPAC Name: 2-[(2-methoxy-6-pentadecylphenyl)methylsulfanyl]-6-methyl-1H-benzimidazole Traditional Name: 2-[(2-methoxy-6-pentadecyl-benzyl)thio]-6-methyl-1H-benzimidazole Formula: C31H46N2OS MolecularWeight: 494.77474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OC)CSC2=NC3=C(N2)C=C(C=C3)C

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OC)CSC2=NC3=C(N2)C=C(C=C3)C

InChI

InChI=1S/C31H46N2OS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-26-19-17-20-30(34-3)27(26)24-35-31-32-28-22-21-25(2)23-29(28)33-31/h17,19-23H,4-16,18,24H2,1-3H3,(H,32,33)