2-(3-butylsulfinyl-2-oxidanyl-propyl)sulfanyl-6-(4-methoxyphenyl)-4-phenyl-pyridine-3-carbonitrile

Systemtic Name: 2-(3-butylsulfinyl-2-oxidanyl-propyl)sulfanyl-6-(4-methoxyphenyl)-4-phenyl-pyridine-3-carbonitrile Openeye Name: 2-(3-butylsulfinyl-2-hydroxy-propyl)sulfanyl-6-(4-methoxyphenyl)-4-phenyl-pyridine-3-carbonitrile CAS Name: 2-[(3-butylsulfinyl-2-hydroxypropyl)thio]-6-(4-methoxyphenyl)-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-(3-butylsulfinyl-2-hydroxypropyl)sulfanyl-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile Traditional Name: 2-[(3-butylsulfinyl-2-hydroxy-propyl)thio]-6-(4-methoxyphenyl)-4-phenyl-nicotinonitrile Formula: C26H28N2O3S2 MolecularWeight: 480.64212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)CC(CSC1=C(C(=CC(=N1)C2=CC=C(C=C2)OC)C3=CC=CC=C3)C#N)O

Isomeric SMILES

CCCCS(=O)CC(CSC1=C(C(=CC(=N1)C2=CC=C(C=C2)OC)C3=CC=CC=C3)C#N)O

InChI

InChI=1S/C26H28N2O3S2/c1-3-4-14-33(30)18-21(29)17-32-26-24(16-27)23(19-8-6-5-7-9-19)15-25(28-26)20-10-12-22(31-2)13-11-20/h5-13,15,21,29H,3-4,14,17-18H2,1-2H3