2-azanyl-4-(2-chloranyl-6-fluoranyl-phenyl)-6-(2,4,6-trimethylphenyl)sulfanyl-pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-(2-chloranyl-6-fluoranyl-phenyl)-6-(2,4,6-trimethylphenyl)sulfanyl-pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-4-(2-chloro-6-fluoro-phenyl)-6-(2,4,6-trimethylphenyl)sulfanyl-pyridine-3,5-dicarbonitrile CAS Name: 2-amino-4-(2-chloro-6-fluorophenyl)-6-[(2,4,6-trimethylphenyl)thio]pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(2-chloro-6-fluorophenyl)-6-(2,4,6-trimethylphenyl)sulfanylpyridine-3,5-dicarbonitrile Traditional Name: 2-amino-4-(2-chloro-6-fluoro-phenyl)-6-(mesitylthio)dinicotinonitrile Formula: C22H16ClFN4S MolecularWeight: 422.905643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)SC2=C(C(=C(C(=N2)N)C#N)C3=C(C=CC=C3Cl)F)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)SC2=C(C(=C(C(=N2)N)C#N)C3=C(C=CC=C3Cl)F)C#N)C

InChI

InChI=1S/C22H16ClFN4S/c1-11-7-12(2)20(13(3)8-11)29-22-15(10-26)18(14(9-25)21(27)28-22)19-16(23)5-4-6-17(19)24/h4-8H,1-3H3,(H2,27,28)