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

Systemtic Name: 4-(4-tert-butylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]-6-thiophen-2-yl-pyridine-3-carbonitrile Openeye Name: 4-(4-tert-butylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]-6-(2-thienyl)pyridine-3-carbonitrile CAS Name: 4-(4-tert-butylphenyl)-2-[(4-chlorophenyl)methylthio]-6-thiophen-2-yl-3-pyridinecarbonitrile IUPAC Name: 4-(4-tert-butylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridine-3-carbonitrile Traditional Name: 4-(4-tert-butylphenyl)-2-[(4-chlorobenzyl)thio]-6-(2-thienyl)nicotinonitrile Formula: C27H23ClN2S2 MolecularWeight: 475.06792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC3=CC=C(C=C3)Cl)C4=CC=CS4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC3=CC=C(C=C3)Cl)C4=CC=CS4

InChI

InChI=1S/C27H23ClN2S2/c1-27(2,3)20-10-8-19(9-11-20)22-15-24(25-5-4-14-31-25)30-26(23(22)16-29)32-17-18-6-12-21(28)13-7-18/h4-15H,17H2,1-3H3