2-[(4-chlorophenyl)methylsulfanyl]-6-(4-ethoxyphenyl)-4-phenyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-6-(4-ethoxyphenyl)-4-phenyl-pyridine-3-carbonitrile Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-6-(4-ethoxyphenyl)-4-phenyl-pyridine-3-carbonitrile CAS Name: 2-[(4-chlorophenyl)methylthio]-6-(4-ethoxyphenyl)-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-6-(4-ethoxyphenyl)-4-phenylpyridine-3-carbonitrile Traditional Name: 2-[(4-chlorobenzyl)thio]-4-phenyl-6-p-phenetyl-nicotinonitrile Formula: C27H21ClN2OS MolecularWeight: 456.98644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H21ClN2OS/c1-2-31-23-14-10-21(11-15-23)26-16-24(20-6-4-3-5-7-20)25(17-29)27(30-26)32-18-19-8-12-22(28)13-9-19/h3-16H,2,18H2,1H3