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

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-6-(4-ethoxyphenyl)-4-phenyl-pyridine-3-carbonitrile Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-6-(4-ethoxyphenyl)-4-phenyl-pyridine-3-carbonitrile CAS Name: 2-[(2-chlorophenyl)methylthio]-6-(4-ethoxyphenyl)-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-6-(4-ethoxyphenyl)-4-phenylpyridine-3-carbonitrile Traditional Name: 2-[(2-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=CC=C4Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC4=CC=CC=C4Cl

InChI

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