2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxo-ethyl]sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile CAS Name: 2-[[2-(3,5-dimethyl-1-pyrazolyl)-2-oxoethyl]thio]-4,6-diphenyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]sulfanyl-4,6-diphenylpyridine-3-carbonitrile Traditional Name: 2-[[2-(3,5-dimethylpyrazol-1-yl)-2-keto-ethyl]thio]-4,6-diphenyl-nicotinonitrile Formula: C25H20N4OS MolecularWeight: 424.5175

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N)C

Isomeric SMILES

CC1=CC(=NN1C(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N)C

InChI

InChI=1S/C25H20N4OS/c1-17-13-18(2)29(28-17)24(30)16-31-25-22(15-26)21(19-9-5-3-6-10-19)14-23(27-25)20-11-7-4-8-12-20/h3-14H,16H2,1-2H3