2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(2-methylpropyl)-6-phenyl-pyridine-3,5-dicarbonitrile

Systemtic Name: 2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(2-methylpropyl)-6-phenyl-pyridine-3,5-dicarbonitrile Openeye Name: 2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-4-isobutyl-6-phenyl-pyridine-3,5-dicarbonitrile CAS Name: 2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-4-(2-methylpropyl)-6-phenylpyridine-3,5-dicarbonitrile IUPAC Name: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(2-methylpropyl)-6-phenylpyridine-3,5-dicarbonitrile Traditional Name: 2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-4-isobutyl-6-phenyl-dinicotinonitrile Formula: C25H20ClN3OS MolecularWeight: 445.9638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C(=NC(=C1C#N)SCC(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C#N

Isomeric SMILES

CC(C)CC1=C(C(=NC(=C1C#N)SCC(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C#N

InChI

InChI=1S/C25H20ClN3OS/c1-16(2)12-20-21(13-27)24(18-6-4-3-5-7-18)29-25(22(20)14-28)31-15-23(30)17-8-10-19(26)11-9-17/h3-11,16H,12,15H2,1-2H3