6-(4-bromophenyl)-2-(3-butylsulfanyl-2-oxidanyl-propyl)sulfanyl-4-phenyl-pyridine-3-carbonitrile

Systemtic Name: 6-(4-bromophenyl)-2-(3-butylsulfanyl-2-oxidanyl-propyl)sulfanyl-4-phenyl-pyridine-3-carbonitrile Openeye Name: 6-(4-bromophenyl)-2-(3-butylsulfanyl-2-hydroxy-propyl)sulfanyl-4-phenyl-pyridine-3-carbonitrile CAS Name: 6-(4-bromophenyl)-2-[[3-(butylthio)-2-hydroxypropyl]thio]-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 6-(4-bromophenyl)-2-(3-butylsulfanyl-2-hydroxypropyl)sulfanyl-4-phenylpyridine-3-carbonitrile Traditional Name: 6-(4-bromophenyl)-2-[[3-(butylthio)-2-hydroxy-propyl]thio]-4-phenyl-nicotinonitrile Formula: C25H25BrN2OS2 MolecularWeight: 513.5128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(CSC1=C(C(=CC(=N1)C2=CC=C(C=C2)Br)C3=CC=CC=C3)C#N)O

Isomeric SMILES

CCCCSCC(CSC1=C(C(=CC(=N1)C2=CC=C(C=C2)Br)C3=CC=CC=C3)C#N)O

InChI

InChI=1S/C25H25BrN2OS2/c1-2-3-13-30-16-21(29)17-31-25-23(15-27)22(18-7-5-4-6-8-18)14-24(28-25)19-9-11-20(26)12-10-19/h4-12,14,21,29H,2-3,13,16-17H2,1H3