2-[(4-tert-butylphenyl)methylsulfanyl]-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[(4-tert-butylphenyl)methylthio]-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[(4-tert-butylbenzyl)thio]-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C22H26N2S MolecularWeight: 350.52024

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(C(=N2)SCC3=CC=C(C=C3)C(C)(C)C)C#N

Isomeric SMILES

CC1CCC2=C(C1)C=C(C(=N2)SCC3=CC=C(C=C3)C(C)(C)C)C#N

InChI

InChI=1S/C22H26N2S/c1-15-5-10-20-17(11-15)12-18(13-23)21(24-20)25-14-16-6-8-19(9-7-16)22(2,3)4/h6-9,12,15H,5,10-11,14H2,1-4H3