2-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-fluorophenyl)-6-thiophen-2-yl-pyridine-3-carbonitrile

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-fluorophenyl)-6-thiophen-2-yl-pyridine-3-carbonitrile Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-fluorophenyl)-6-(2-thienyl)pyridine-3-carbonitrile CAS Name: 2-[(4-tert-butylphenyl)methylthio]-4-(4-fluorophenyl)-6-thiophen-2-yl-3-pyridinecarbonitrile IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-fluorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile Traditional Name: 2-[(4-tert-butylbenzyl)thio]-4-(4-fluorophenyl)-6-(2-thienyl)nicotinonitrile Formula: C27H23FN2S2 MolecularWeight: 458.613323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=C(C=C4)F)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=C(C=C4)F)C#N

InChI

InChI=1S/C27H23FN2S2/c1-27(2,3)20-10-6-18(7-11-20)17-32-26-23(16-29)22(19-8-12-21(28)13-9-19)15-24(30-26)25-5-4-14-31-25/h4-15H,17H2,1-3H3