2-[(3-fluorophenyl)methylsulfanyl]-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-[(3-fluorophenyl)methylsulfanyl]-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-[(3-fluorophenyl)methylsulfanyl]-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[(3-fluorophenyl)methylthio]-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-[(3-fluorophenyl)methylsulfanyl]-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[(3-fluorobenzyl)thio]-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C18H17FN2S MolecularWeight: 312.404383

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(C(=N2)SCC3=CC(=CC=C3)F)C#N

Isomeric SMILES

CC1CCC2=C(C1)C=C(C(=N2)SCC3=CC(=CC=C3)F)C#N

InChI

InChI=1S/C18H17FN2S/c1-12-5-6-17-14(7-12)9-15(10-20)18(21-17)22-11-13-3-2-4-16(19)8-13/h2-4,8-9,12H,5-7,11H2,1H3