6-(4-bromophenyl)-2-[(1-oxidanylcyclohexyl)methylsulfanyl]-4-phenyl-pyridine-3-carbonitrile

Systemtic Name: 6-(4-bromophenyl)-2-[(1-oxidanylcyclohexyl)methylsulfanyl]-4-phenyl-pyridine-3-carbonitrile Openeye Name: 6-(4-bromophenyl)-2-[(1-hydroxycyclohexyl)methylsulfanyl]-4-phenyl-pyridine-3-carbonitrile CAS Name: 6-(4-bromophenyl)-2-[(1-hydroxycyclohexyl)methylthio]-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 6-(4-bromophenyl)-2-[(1-hydroxycyclohexyl)methylsulfanyl]-4-phenylpyridine-3-carbonitrile Traditional Name: 6-(4-bromophenyl)-2-[(1-hydroxycyclohexyl)methylthio]-4-phenyl-nicotinonitrile Formula: C25H23BrN2OS MolecularWeight: 479.43192

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4)C#N)O

Isomeric SMILES

C1CCC(CC1)(CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4)C#N)O

InChI

InChI=1S/C25H23BrN2OS/c26-20-11-9-19(10-12-20)23-15-21(18-7-3-1-4-8-18)22(16-27)24(28-23)30-17-25(29)13-5-2-6-14-25/h1,3-4,7-12,15,29H,2,5-6,13-14,17H2