2-[2-[6-(4-bromophenyl)-3-cyano-4-phenyl-pyridin-2-yl]sulfanylcyclohexylidene]propanedinitrile

Systemtic Name: 2-[2-[6-(4-bromophenyl)-3-cyano-4-phenyl-pyridin-2-yl]sulfanylcyclohexylidene]propanedinitrile Openeye Name: 2-[2-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridyl]sulfanyl]cyclohexylidene]propanedinitrile CAS Name: 2-[2-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridinyl]thio]cyclohexylidene]propanedinitrile IUPAC Name: 2-[2-[6-(4-bromophenyl)-3-cyano-4-phenylpyridin-2-yl]sulfanylcyclohexylidene]propanedinitrile Traditional Name: 2-[2-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridyl]thio]cyclohexylidene]malononitrile Formula: C27H19BrN4S MolecularWeight: 511.43556

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C(C#N)C#N)C(C1)SC2=C(C(=CC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4)C#N

Isomeric SMILES

C1CCC(=C(C#N)C#N)C(C1)SC2=C(C(=CC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4)C#N

InChI

InChI=1S/C27H19BrN4S/c28-21-12-10-19(11-13-21)25-14-23(18-6-2-1-3-7-18)24(17-31)27(32-25)33-26-9-5-4-8-22(26)20(15-29)16-30/h1-3,6-7,10-14,26H,4-5,8-9H2