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

Systemtic Name: 4-(4-chlorophenyl)-2-(cyanomethylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 4-(4-chlorophenyl)-2-(cyanomethylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 4-(4-chlorophenyl)-2-(cyanomethylthio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 4-(4-chlorophenyl)-2-(cyanomethylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 4-(4-chlorophenyl)-2-(cyanomethylthio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C18H14ClN3S MolecularWeight: 339.84186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClN3S/c19-13-7-5-12(6-8-13)17-14-3-1-2-4-16(14)22-18(15(17)11-21)23-10-9-20/h5-8H,1-4,10H2