2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-(4-methoxyphenyl)-6-phenyl-pyridine-3-carbonitrile

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-(4-methoxyphenyl)-6-phenyl-pyridine-3-carbonitrile Openeye Name: 2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-4-(4-methoxyphenyl)-6-phenyl-pyridine-3-carbonitrile CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-4-(4-methoxyphenyl)-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile Traditional Name: 2-[(2-keto-3,3-dimethyl-butyl)thio]-4-(4-methoxyphenyl)-6-phenyl-nicotinonitrile Formula: C25H24N2O2S MolecularWeight: 416.53526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N2O2S/c1-25(2,3)23(28)16-30-24-21(15-26)20(17-10-12-19(29-4)13-11-17)14-22(27-24)18-8-6-5-7-9-18/h5-14H,16H2,1-4H3