2-[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(3,4-dimethylphenyl)-2-oxo-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[2-(3,4-dimethylphenyl)-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(3,4-dimethylphenyl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[[2-(3,4-dimethylphenyl)-2-keto-ethyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C18H18N2OS MolecularWeight: 310.41332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=C(C(=CC(=N2)C)C)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=C(C(=CC(=N2)C)C)C#N)C

InChI

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