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

Systemtic Name: 2-(cyanomethylsulfanyl)-4-(2,4-dichlorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-(cyanomethylsulfanyl)-4-(2,4-dichlorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-(cyanomethylthio)-4-(2,4-dichlorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-(cyanomethylsulfanyl)-4-(2,4-dichlorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-(cyanomethylthio)-4-(2,4-dichlorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C18H13Cl2N3S MolecularWeight: 374.28692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13Cl2N3S/c19-11-5-6-12(15(20)9-11)17-13-3-1-2-4-16(13)23-18(14(17)10-22)24-8-7-21/h5-6,9H,1-4,8H2