2-(3-butylsulfonyl-2-oxidanyl-propyl)sulfanyl-6-(4-methylphenyl)-4-phenyl-pyridine-3-carbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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