4-(4-dimethylaminophenyl)-2-[(2-fluorophenyl)methylsulfanyl]-6-phenyl-pyridine-3-carbonitrile

Systemtic Name: 4-(4-dimethylaminophenyl)-2-[(2-fluorophenyl)methylsulfanyl]-6-phenyl-pyridine-3-carbonitrile Openeye Name: 4-(4-dimethylaminophenyl)-2-[(2-fluorophenyl)methylsulfanyl]-6-phenyl-pyridine-3-carbonitrile CAS Name: 4-(4-dimethylaminophenyl)-2-[(2-fluorophenyl)methylthio]-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 4-(4-dimethylaminophenyl)-2-[(2-fluorophenyl)methylsulfanyl]-6-phenylpyridine-3-carbonitrile Traditional Name: 4-(4-dimethylaminophenyl)-2-[(2-fluorobenzyl)thio]-6-phenyl-nicotinonitrile Formula: C27H22FN3S MolecularWeight: 439.547083

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC3=CC=CC=C3F)C4=CC=CC=C4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC3=CC=CC=C3F)C4=CC=CC=C4

InChI

InChI=1S/C27H22FN3S/c1-31(2)22-14-12-19(13-15-22)23-16-26(20-8-4-3-5-9-20)30-27(24(23)17-29)32-18-21-10-6-7-11-25(21)28/h3-16H,18H2,1-2H3