2-[2-(3-butylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-(3-butylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(3-butylphenyl)-2-oxo-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carbonitrile CAS Name: 2-[[2-(3-butylphenyl)-2-oxoethyl]thio]-4,5,6-trimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(3-butylphenyl)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carbonitrile Traditional Name: 2-[[2-(3-butylphenyl)-2-keto-ethyl]thio]-4,5,6-trimethyl-nicotinonitrile Formula: C21H24N2OS MolecularWeight: 352.49306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC(=C1)C(=O)CSC2=NC(=C(C(=C2C#N)C)C)C

Isomeric SMILES

CCCCC1=CC=CC(=C1)C(=O)CSC2=NC(=C(C(=C2C#N)C)C)C

InChI

InChI=1S/C21H24N2OS/c1-5-6-8-17-9-7-10-18(11-17)20(24)13-25-21-19(12-22)15(3)14(2)16(4)23-21/h7,9-11H,5-6,8,13H2,1-4H3