2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-pyridin-4-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-pyridin-4-yl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-(4-pyridyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-6-pyridin-4-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-pyridin-4-yl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-6-(4-pyridyl)-4-(trifluoromethyl)nicotinonitrile Formula: C20H12F3N5S MolecularWeight: 411.40299

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CSC3=C(C(=CC(=N3)C4=CC=NC=C4)C(F)(F)F)C#N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CSC3=C(C(=CC(=N3)C4=CC=NC=C4)C(F)(F)F)C#N

InChI

InChI=1S/C20H12F3N5S/c21-20(22,23)14-9-17(12-5-7-25-8-6-12)28-19(13(14)10-24)29-11-18-26-15-3-1-2-4-16(15)27-18/h1-9H,11H2,(H,26,27)