2-[(1-oxidanyl-3,4-dihydro-2H-naphthalen-1-yl)methylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-[(1-oxidanyl-3,4-dihydro-2H-naphthalen-1-yl)methylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-[(1-hydroxytetralin-1-yl)methylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methylthio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[(1-hydroxytetralin-1-yl)methylthio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C21H22N2OS MolecularWeight: 350.47718

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(C(=N2)SCC3(CCCC4=CC=CC=C43)O)C#N

Isomeric SMILES

C1CCC2=C(C1)C=C(C(=N2)SCC3(CCCC4=CC=CC=C43)O)C#N

InChI

InChI=1S/C21H22N2OS/c22-13-17-12-16-7-2-4-10-19(16)23-20(17)25-14-21(24)11-5-8-15-6-1-3-9-18(15)21/h1,3,6,9,12,24H,2,4-5,7-8,10-11,14H2