2-[(4-tert-butylphenyl)methylsulfanyl]-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-6-methyl-pyridine-3-carbonitrile Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-6-methyl-pyridine-3-carbonitrile CAS Name: 2-[(4-tert-butylphenyl)methylthio]-6-methyl-3-pyridinecarbonitrile IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-6-methylpyridine-3-carbonitrile Traditional Name: 2-[(4-tert-butylbenzyl)thio]-6-methyl-nicotinonitrile Formula: C18H20N2S MolecularWeight: 296.4298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C#N)SCC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC1=NC(=C(C=C1)C#N)SCC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C18H20N2S/c1-13-5-8-15(11-19)17(20-13)21-12-14-6-9-16(10-7-14)18(2,3)4/h5-10H,12H2,1-4H3