2-[(3-bromophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-6-phenyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-6-phenyl-pyridine-3-carbonitrile Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-6-phenyl-pyridine-3-carbonitrile CAS Name: 2-[(3-bromophenyl)methylthio]-4-(4-methoxyphenyl)-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile Traditional Name: 2-[(3-bromobenzyl)thio]-4-(4-methoxyphenyl)-6-phenyl-nicotinonitrile Formula: C26H19BrN2OS MolecularWeight: 487.41086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC3=CC(=CC=C3)Br)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC3=CC(=CC=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C26H19BrN2OS/c1-30-22-12-10-19(11-13-22)23-15-25(20-7-3-2-4-8-20)29-26(24(23)16-28)31-17-18-6-5-9-21(27)14-18/h2-15H,17H2,1H3