2-[4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butyl]sulfanyl-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-[4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butyl]sulfanyl-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-(4-indolin-1-yl-4-oxo-butyl)sulfanyl-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]thio]-6-methyl-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]sulfanyl-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[(4-indolin-1-yl-4-keto-butyl)thio]-6-methyl-4-(trifluoromethyl)nicotinonitrile Formula: C20H18F3N3OS MolecularWeight: 405.43663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCCCC(=O)N2CCC3=CC=CC=C32

Isomeric SMILES

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCCCC(=O)N2CCC3=CC=CC=C32

InChI

InChI=1S/C20H18F3N3OS/c1-13-11-16(20(21,22)23)15(12-24)19(25-13)28-10-4-7-18(27)26-9-8-14-5-2-3-6-17(14)26/h2-3,5-6,11H,4,7-10H2,1H3