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

Systemtic Name: 1-heptyl-2-[phenyl(phenylsulfanyl)methyl]benzimidazole Openeye Name: 1-heptyl-2-[phenyl(phenylsulfanyl)methyl]benzimidazole CAS Name: 1-heptyl-2-[phenyl-(phenylthio)methyl]benzimidazole IUPAC Name: 1-heptyl-2-[phenyl(phenylsulfanyl)methyl]benzimidazole Traditional Name: 1-heptyl-2-[phenyl-(phenylthio)methyl]benzimidazole Formula: C27H30N2S MolecularWeight: 414.6055

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=CC=CC=C2N=C1C(C3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CCCCCCCN1C2=CC=CC=C2N=C1C(C3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C27H30N2S/c1-2-3-4-5-14-21-29-25-20-13-12-19-24(25)28-27(29)26(22-15-8-6-9-16-22)30-23-17-10-7-11-18-23/h6-13,15-20,26H,2-5,14,21H2,1H3