3-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile

Systemtic Name: 3-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile Openeye Name: 3-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile CAS Name: 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile IUPAC Name: 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile Traditional Name: 3-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]-1-phenyl-2-pyrindan-4-carbonitrile Formula: C21H13ClF3N3S MolecularWeight: 431.86123

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=NC(=C2C1)C3=CC=CC=C3)SC4=C(C=C(C=N4)C(F)(F)F)Cl)C#N

Isomeric SMILES

C1CC2=C(C(=NC(=C2C1)C3=CC=CC=C3)SC4=C(C=C(C=N4)C(F)(F)F)Cl)C#N

InChI

InChI=1S/C21H13ClF3N3S/c22-17-9-13(21(23,24)25)11-27-20(17)29-19-16(10-26)14-7-4-8-15(14)18(28-19)12-5-2-1-3-6-12/h1-3,5-6,9,11H,4,7-8H2