2-[3-[(4-chlorophenyl)methylsulfinyl]-2-oxidanyl-propyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-[3-[(4-chlorophenyl)methylsulfinyl]-2-oxidanyl-propyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-[3-[(4-chlorophenyl)methylsulfinyl]-2-hydroxy-propyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[[3-[(4-chlorophenyl)methylsulfinyl]-2-hydroxypropyl]thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-[3-[(4-chlorophenyl)methylsulfinyl]-2-hydroxypropyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[[3-(4-chlorobenzyl)sulfinyl-2-hydroxy-propyl]thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C20H21ClN2O2S2 MolecularWeight: 420.97594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(C(=N2)SCC(CS(=O)CC3=CC=C(C=C3)Cl)O)C#N

Isomeric SMILES

C1CCC2=C(C1)C=C(C(=N2)SCC(CS(=O)CC3=CC=C(C=C3)Cl)O)C#N

InChI

InChI=1S/C20H21ClN2O2S2/c21-17-7-5-14(6-8-17)12-27(25)13-18(24)11-26-20-16(10-22)9-15-3-1-2-4-19(15)23-20/h5-9,18,24H,1-4,11-13H2