2-[(4-tert-butylphenyl)sulfinylmethylsulfanyl]-4-phenyl-6-thiophen-2-yl-pyridine-3-carbonitrile

Systemtic Name: 2-[(4-tert-butylphenyl)sulfinylmethylsulfanyl]-4-phenyl-6-thiophen-2-yl-pyridine-3-carbonitrile Openeye Name: 2-[(4-tert-butylphenyl)sulfinylmethylsulfanyl]-4-phenyl-6-(2-thienyl)pyridine-3-carbonitrile CAS Name: 2-[(4-tert-butylphenyl)sulfinylmethylthio]-4-phenyl-6-thiophen-2-yl-3-pyridinecarbonitrile IUPAC Name: 2-[(4-tert-butylphenyl)sulfinylmethylsulfanyl]-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile Traditional Name: 2-[(4-tert-butylphenyl)sulfinylmethylthio]-4-phenyl-6-(2-thienyl)nicotinonitrile Formula: C27H24N2OS3 MolecularWeight: 488.68726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24N2OS3/c1-27(2,3)20-11-13-21(14-12-20)33(30)18-32-26-23(17-28)22(19-8-5-4-6-9-19)16-24(29-26)25-10-7-15-31-25/h4-16H,18H2,1-3H3