4-(pyridin-4-ylmethylsulfanyl)-N-[3-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide

Systemtic Name: 4-(pyridin-4-ylmethylsulfanyl)-N-[3-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide Openeye Name: 4-(4-pyridylmethylsulfanyl)-N-[3-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide CAS Name: 4-(pyridin-4-ylmethylthio)-N-[3-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide IUPAC Name: 4-(pyridin-4-ylmethylsulfanyl)-N-[3-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide Traditional Name: 4-(4-pyridylmethylthio)-N-[3-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide Formula: C22H16F3N3OS MolecularWeight: 427.44215

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CNC3=C2C(=CC=C3)SCC4=CC=NC=C4)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CNC3=C2C(=CC=C3)SCC4=CC=NC=C4)C(F)(F)F

InChI

InChI=1S/C22H16F3N3OS/c23-22(24,25)15-3-1-4-16(11-15)28-21(29)17-12-27-18-5-2-6-19(20(17)18)30-13-14-7-9-26-10-8-14/h1-12,27H,13H2,(H,28,29)