5-methoxy-N-[4-(pyridin-4-ylmethylsulfanyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

Systemtic Name: 5-methoxy-N-[4-(pyridin-4-ylmethylsulfanyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide Openeye Name: 5-methoxy-N-[4-(4-pyridylmethylsulfanyl)phenyl]-6-(trifluoromethyl)indoline-1-carboxamide CAS Name: 5-methoxy-N-[4-(pyridin-4-ylmethylthio)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide IUPAC Name: 5-methoxy-N-[4-(pyridin-4-ylmethylsulfanyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide Traditional Name: 5-methoxy-N-[4-(4-pyridylmethylthio)phenyl]-6-(trifluoromethyl)indoline-1-carboxamide Formula: C23H20F3N3O2S MolecularWeight: 459.48401

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN2C(=O)NC3=CC=C(C=C3)SCC4=CC=NC=C4)C(F)(F)F

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN2C(=O)NC3=CC=C(C=C3)SCC4=CC=NC=C4)C(F)(F)F

InChI

InChI=1S/C23H20F3N3O2S/c1-31-21-12-16-8-11-29(20(16)13-19(21)23(24,25)26)22(30)28-17-2-4-18(5-3-17)32-14-15-6-9-27-10-7-15/h2-7,9-10,12-13H,8,11,14H2,1H3,(H,28,30)