6-cyclopropyl-2-(pyridin-3-ylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-cyclopropyl-2-(pyridin-3-ylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-cyclopropyl-2-(3-pyridylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-cyclopropyl-2-(3-pyridinylmethylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-cyclopropyl-2-(pyridin-3-ylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-cyclopropyl-2-(3-pyridylmethylthio)-4-(trifluoromethyl)nicotinonitrile Formula: C16H12F3N3S MolecularWeight: 335.34679

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=CN=CC=C3

Isomeric SMILES

C1CC1C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=CN=CC=C3

InChI

InChI=1S/C16H12F3N3S/c17-16(18,19)13-6-14(11-3-4-11)22-15(12(13)7-20)23-9-10-2-1-5-21-8-10/h1-2,5-6,8,11H,3-4,9H2