2-butylsulfanyl-4,6-bis(4-chlorophenyl)pyridine-3-carbonitrile

Systemtic Name: 2-butylsulfanyl-4,6-bis(4-chlorophenyl)pyridine-3-carbonitrile Openeye Name: 2-butylsulfanyl-4,6-bis(4-chlorophenyl)pyridine-3-carbonitrile CAS Name: 2-(butylthio)-4,6-bis(4-chlorophenyl)-3-pyridinecarbonitrile IUPAC Name: 2-butylsulfanyl-4,6-bis(4-chlorophenyl)pyridine-3-carbonitrile Traditional Name: 2-(butylthio)-4,6-bis(4-chlorophenyl)nicotinonitrile Formula: C22H18Cl2N2S MolecularWeight: 413.36272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C(=CC(=N1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

CCCCSC1=C(C(=CC(=N1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C22H18Cl2N2S/c1-2-3-12-27-22-20(14-25)19(15-4-8-17(23)9-5-15)13-21(26-22)16-6-10-18(24)11-7-16/h4-11,13H,2-3,12H2,1H3