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

Systemtic Name: 2-[2-(4-tert-butylphenyl)sulfonylethylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-[2-(4-tert-butylphenyl)sulfonylethylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[2-(4-tert-butylphenyl)sulfonylethylthio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-[2-(4-tert-butylphenyl)sulfonylethylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[2-(4-tert-butylphenyl)sulfonylethylthio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C22H26N2O2S2 MolecularWeight: 414.58404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)CCSC2=NC3=C(CCCC3)C=C2C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)CCSC2=NC3=C(CCCC3)C=C2C#N

InChI

InChI=1S/C22H26N2O2S2/c1-22(2,3)18-8-10-19(11-9-18)28(25,26)13-12-27-21-17(15-23)14-16-6-4-5-7-20(16)24-21/h8-11,14H,4-7,12-13H2,1-3H3