4-cyano-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinoline-3-thiolate

Systemtic Name: 4-cyano-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinoline-3-thiolate Openeye Name: 4-cyano-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinoline-3-thiolate CAS Name: 4-cyano-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinoline-3-thiolate IUPAC Name: 4-cyano-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinoline-3-thiolate Traditional Name: 4-cyano-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinoline-3-thiolate Formula: C17H12F3N2S- MolecularWeight: 333.35079

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)[S-])C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)[S-])C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C17H13F3N2S/c18-17(19,20)11-5-3-4-10(8-11)15-13-7-2-1-6-12(13)14(9-21)16(23)22-15/h3-5,8H,1-2,6-7H2,(H,22,23)/p-1