2-[(4-bromophenyl)methylsulfanyl]-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[(4-bromophenyl)methylthio]-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[(4-bromobenzyl)thio]-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C18H17BrN2S MolecularWeight: 373.30998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN2S/c1-12-2-7-17-14(8-12)9-15(10-20)18(21-17)22-11-13-3-5-16(19)6-4-13/h3-6,9,12H,2,7-8,11H2,1H3