3-[(4-bromanylpyrazol-1-yl)methylsulfanyl]-1-(trifluoromethyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-[(4-bromanylpyrazol-1-yl)methylsulfanyl]-1-(trifluoromethyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-[(4-bromopyrazol-1-yl)methylsulfanyl]-1-(trifluoromethyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-[(4-bromo-1-pyrazolyl)methylthio]-1-(trifluoromethyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-[(4-bromopyrazol-1-yl)methylsulfanyl]-1-(trifluoromethyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[(4-bromopyrazol-1-yl)methylthio]-1-(trifluoromethyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C15H12BrF3N4S MolecularWeight: 417.24679

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)SCN3C=C(C=N3)Br)C(F)(F)F

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)SCN3C=C(C=N3)Br)C(F)(F)F

InChI

InChI=1S/C15H12BrF3N4S/c16-9-6-21-23(7-9)8-24-14-12(5-20)10-3-1-2-4-11(10)13(22-14)15(17,18)19/h6-7H,1-4,8H2