1-hexadecyl-2-[phenyl(phenylsulfanyl)methyl]benzimidazole

Systemtic Name: 1-hexadecyl-2-[phenyl(phenylsulfanyl)methyl]benzimidazole Openeye Name: 1-hexadecyl-2-[phenyl(phenylsulfanyl)methyl]benzimidazole CAS Name: 1-hexadecyl-2-[phenyl-(phenylthio)methyl]benzimidazole IUPAC Name: 1-hexadecyl-2-[phenyl(phenylsulfanyl)methyl]benzimidazole Traditional Name: 1-cetyl-2-[phenyl-(phenylthio)methyl]benzimidazole Formula: C36H48N2S MolecularWeight: 540.84472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2N=C1C(C3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2N=C1C(C3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C36H48N2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-23-30-38-34-29-22-21-28-33(34)37-36(38)35(31-24-17-15-18-25-31)39-32-26-19-16-20-27-32/h15-22,24-29,35H,2-14,23,30H2,1H3