2-(3,5-ditert-butyl-4-chloranyl-phenyl)sulfanylquinoline-4-carbonitrile

Systemtic Name: 2-(3,5-ditert-butyl-4-chloranyl-phenyl)sulfanylquinoline-4-carbonitrile Openeye Name: 2-(3,5-ditert-butyl-4-chloro-phenyl)sulfanylquinoline-4-carbonitrile CAS Name: 2-[(3,5-ditert-butyl-4-chlorophenyl)thio]-4-quinolinecarbonitrile IUPAC Name: 2-(3,5-ditert-butyl-4-chlorophenyl)sulfanylquinoline-4-carbonitrile Traditional Name: 2-[(3,5-ditert-butyl-4-chloro-phenyl)thio]cinchoninonitrile Formula: C24H25ClN2S MolecularWeight: 408.9867

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1Cl)C(C)(C)C)SC2=NC3=CC=CC=C3C(=C2)C#N

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1Cl)C(C)(C)C)SC2=NC3=CC=CC=C3C(=C2)C#N

InChI

InChI=1S/C24H25ClN2S/c1-23(2,3)18-12-16(13-19(22(18)25)24(4,5)6)28-21-11-15(14-26)17-9-7-8-10-20(17)27-21/h7-13H,1-6H3