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

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-6-(2-chlorophenyl)-4-(4-chlorophenyl)pyridine-3-carbonitrile Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-6-(2-chlorophenyl)-4-(4-chlorophenyl)pyridine-3-carbonitrile CAS Name: 2-[(4-bromophenyl)methylthio]-6-(2-chlorophenyl)-4-(4-chlorophenyl)-3-pyridinecarbonitrile IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-6-(2-chlorophenyl)-4-(4-chlorophenyl)pyridine-3-carbonitrile Traditional Name: 2-[(4-bromobenzyl)thio]-6-(2-chlorophenyl)-4-(4-chlorophenyl)nicotinonitrile Formula: C25H15BrCl2N2S MolecularWeight: 526.275

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H15BrCl2N2S/c26-18-9-5-16(6-10-18)15-31-25-22(14-29)21(17-7-11-19(27)12-8-17)13-24(30-25)20-3-1-2-4-23(20)28/h1-13H,15H2