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

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-quinoline-3-carbonitrile Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-quinoline-3-carbonitrile CAS Name: 2-[(4-tert-butylphenyl)methylthio]-4-methyl-3-quinolinecarbonitrile IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-4-methylquinoline-3-carbonitrile Traditional Name: 2-[(4-tert-butylbenzyl)thio]-4-methyl-quinoline-3-carbonitrile Formula: C22H22N2S MolecularWeight: 346.48848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)SCC3=CC=C(C=C3)C(C)(C)C)C#N

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)SCC3=CC=C(C=C3)C(C)(C)C)C#N

InChI

InChI=1S/C22H22N2S/c1-15-18-7-5-6-8-20(18)24-21(19(15)13-23)25-14-16-9-11-17(12-10-16)22(2,3)4/h5-12H,14H2,1-4H3