4-(4-cyanophenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-phenyl-pyridine-3-carboxylic acid

Systemtic Name: 4-(4-cyanophenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-phenyl-pyridine-3-carboxylic acid Openeye Name: 4-(4-cyanophenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-phenyl-pyridine-3-carboxylic acid CAS Name: 4-(4-cyanophenyl)-2-[(4-methoxyphenyl)methylthio]-6-phenyl-3-pyridinecarboxylic acid IUPAC Name: 4-(4-cyanophenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-phenylpyridine-3-carboxylic acid Traditional Name: 4-(4-cyanophenyl)-2-(p-anisylthio)-6-phenyl-nicotinic acid Formula: C27H20N2O3S MolecularWeight: 452.5243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)C#N)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)C#N)C(=O)O

InChI

InChI=1S/C27H20N2O3S/c1-32-22-13-9-19(10-14-22)17-33-26-25(27(30)31)23(20-11-7-18(16-28)8-12-20)15-24(29-26)21-5-3-2-4-6-21/h2-15H,17H2,1H3,(H,30,31)