4-methyl-2-[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4-methyl-2-[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 4-methyl-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 4-methyl-2-[[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 4-methyl-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-(2,4,5-trimethylphenyl)ethyl]thio]-4-methyl-nicotinonitrile Formula: C18H18N2OS MolecularWeight: 310.41332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC=C1)SCC(=O)C2=CC(=C(C=C2C)C)C)C#N

Isomeric SMILES

CC1=C(C(=NC=C1)SCC(=O)C2=CC(=C(C=C2C)C)C)C#N

InChI

InChI=1S/C18H18N2OS/c1-11-5-6-20-18(16(11)9-19)22-10-17(21)15-8-13(3)12(2)7-14(15)4/h5-8H,10H2,1-4H3