6-phenyl-2-(2-pyrrolidin-1-ylethylsulfanyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 6-phenyl-2-(2-pyrrolidin-1-ylethylsulfanyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 6-phenyl-2-(2-pyrrolidin-1-ylethylsulfanyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 6-phenyl-2-[2-(1-pyrrolidinyl)ethylthio]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 6-phenyl-2-(2-pyrrolidin-1-ylethylsulfanyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 6-phenyl-2-(2-pyrrolidinoethylthio)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C23H24F3N3S MolecularWeight: 431.51697

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCSC2=NC3=C(CC(CC3)C4=CC=CC=C4)C(=C2C#N)C(F)(F)F

Isomeric SMILES

C1CCN(C1)CCSC2=NC3=C(CC(CC3)C4=CC=CC=C4)C(=C2C#N)C(F)(F)F

InChI

InChI=1S/C23H24F3N3S/c24-23(25,26)21-18-14-17(16-6-2-1-3-7-16)8-9-20(18)28-22(19(21)15-27)30-13-12-29-10-4-5-11-29/h1-3,6-7,17H,4-5,8-14H2