2-butylsulfanyl-4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-butylsulfanyl-4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-butylsulfanyl-4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-(butylthio)-4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-butylsulfanyl-4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-(butylthio)-4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C20H21ClN2S MolecularWeight: 356.91214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(CCCC2)C(=C1C#N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCSC1=NC2=C(CCCC2)C(=C1C#N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21ClN2S/c1-2-3-12-24-20-17(13-22)19(14-8-10-15(21)11-9-14)16-6-4-5-7-18(16)23-20/h8-11H,2-7,12H2,1H3