1-[2-[(3,5-dimethylpyridin-2-yl)methylsulfanyl]-3H-benzimidazol-5-yl]ethanone

Systemtic Name: 1-[2-[(3,5-dimethylpyridin-2-yl)methylsulfanyl]-3H-benzimidazol-5-yl]ethanone Openeye Name: 1-[2-[(3,5-dimethyl-2-pyridyl)methylsulfanyl]-3H-benzimidazol-5-yl]ethanone CAS Name: 1-[2-[(3,5-dimethyl-2-pyridinyl)methylthio]-3H-benzimidazol-5-yl]ethanone IUPAC Name: 1-[2-[(3,5-dimethylpyridin-2-yl)methylsulfanyl]-3H-benzimidazol-5-yl]ethanone Traditional Name: 1-[2-[(3,5-dimethyl-2-pyridyl)methylthio]-3H-benzimidazol-5-yl]ethanone Formula: C17H17N3OS MolecularWeight: 311.40138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N=C1)CSC2=NC3=C(N2)C=C(C=C3)C(=O)C)C

Isomeric SMILES

CC1=CC(=C(N=C1)CSC2=NC3=C(N2)C=C(C=C3)C(=O)C)C

InChI

InChI=1S/C17H17N3OS/c1-10-6-11(2)16(18-8-10)9-22-17-19-14-5-4-13(12(3)21)7-15(14)20-17/h4-8H,9H2,1-3H3,(H,19,20)