3-bromanyl-1,4-bis(ethylsulfanyl)-3,4-dihydro-1H-isoquinoline-2-carbonitrile

Systemtic Name: 3-bromanyl-1,4-bis(ethylsulfanyl)-3,4-dihydro-1H-isoquinoline-2-carbonitrile Openeye Name: 3-bromo-1,4-bis(ethylsulfanyl)-3,4-dihydro-1H-isoquinoline-2-carbonitrile CAS Name: 3-bromo-1,4-bis(ethylthio)-3,4-dihydro-1H-isoquinoline-2-carbonitrile IUPAC Name: 3-bromo-1,4-bis(ethylsulfanyl)-3,4-dihydro-1H-isoquinoline-2-carbonitrile Traditional Name: 3-bromo-1,4-bis(ethylthio)-3,4-dihydro-1H-isoquinoline-2-carbonitrile Formula: C14H17BrN2S2 MolecularWeight: 357.33218

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1C(N(C(C2=CC=CC=C12)SCC)C#N)Br

Isomeric SMILES

CCSC1C(N(C(C2=CC=CC=C12)SCC)C#N)Br

InChI

InChI=1S/C14H17BrN2S2/c1-3-18-12-10-7-5-6-8-11(10)14(19-4-2)17(9-16)13(12)15/h5-8,12-14H,3-4H2,1-2H3