2-[(3,5-dimethylphenyl)methylsulfanyl]-1H-benzimidazole

Systemtic Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-1H-benzimidazole Openeye Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-1H-benzimidazole CAS Name: 2-[(3,5-dimethylphenyl)methylthio]-1H-benzimidazole IUPAC Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-1H-benzimidazole Traditional Name: 2-[(3,5-dimethylbenzyl)thio]-1H-benzimidazole Formula: C16H16N2S MolecularWeight: 268.37664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CSC2=NC3=CC=CC=C3N2)C

Isomeric SMILES

CC1=CC(=CC(=C1)CSC2=NC3=CC=CC=C3N2)C

InChI

InChI=1S/C16H16N2S/c1-11-7-12(2)9-13(8-11)10-19-16-17-14-5-3-4-6-15(14)18-16/h3-9H,10H2,1-2H3,(H,17,18)