2-[(2R)-3-(4-tert-butylphenyl)sulfanyl-2-oxidanyl-propyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-[(2R)-3-(4-tert-butylphenyl)sulfanyl-2-oxidanyl-propyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-[(2R)-3-(4-tert-butylphenyl)sulfanyl-2-hydroxy-propyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[[(2R)-3-[(4-tert-butylphenyl)thio]-2-hydroxypropyl]thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-[(2R)-3-(4-tert-butylphenyl)sulfanyl-2-hydroxypropyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[[(2R)-3-[(4-tert-butylphenyl)thio]-2-hydroxy-propyl]thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C23H28N2OS2 MolecularWeight: 412.61122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SCC(CSC2=NC3=C(CCCC3)C=C2C#N)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SC[C@H](CSC2=NC3=C(CCCC3)C=C2C#N)O

InChI

InChI=1S/C23H28N2OS2/c1-23(2,3)18-8-10-20(11-9-18)27-14-19(26)15-28-22-17(13-24)12-16-6-4-5-7-21(16)25-22/h8-12,19,26H,4-7,14-15H2,1-3H3/t19-/m1/s1