2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-(methoxymethyl)-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-(methoxymethyl)-6-methyl-pyridine-3-carbonitrile Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-(methoxymethyl)-6-methyl-pyridine-3-carbonitrile CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-4-(methoxymethyl)-6-methyl-3-pyridinecarbonitrile IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-4-(methoxymethyl)-6-methyl-nicotinonitrile Formula: C17H16N4OS MolecularWeight: 324.40014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)COC)C#N)SCC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC1=NC(=C(C(=C1)COC)C#N)SCC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C17H16N4OS/c1-11-7-12(9-22-2)13(8-18)17(19-11)23-10-16-20-14-5-3-4-6-15(14)21-16/h3-7H,9-10H2,1-2H3,(H,20,21)