1-[[3,5-bis(fluoranyl)phenyl]methyl]-N-methyl-3-(2-nitrophenyl)sulfanyl-indole-6-carboxamide

Systemtic Name: 1-[[3,5-bis(fluoranyl)phenyl]methyl]-N-methyl-3-(2-nitrophenyl)sulfanyl-indole-6-carboxamide Openeye Name: 1-[(3,5-difluorophenyl)methyl]-N-methyl-3-(2-nitrophenyl)sulfanyl-indole-6-carboxamide CAS Name: 1-[(3,5-difluorophenyl)methyl]-N-methyl-3-[(2-nitrophenyl)thio]-6-indolecarboxamide IUPAC Name: 1-[(3,5-difluorophenyl)methyl]-N-methyl-3-(2-nitrophenyl)sulfanylindole-6-carboxamide Traditional Name: 1-(3,5-difluorobenzyl)-N-methyl-3-[(2-nitrophenyl)thio]indole-6-carboxamide Formula: C23H17F2N3O3S MolecularWeight: 453.461186

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC2=C(C=C1)C(=CN2CC3=CC(=CC(=C3)F)F)SC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CNC(=O)C1=CC2=C(C=C1)C(=CN2CC3=CC(=CC(=C3)F)F)SC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C23H17F2N3O3S/c1-26-23(29)15-6-7-18-20(10-15)27(12-14-8-16(24)11-17(25)9-14)13-22(18)32-21-5-3-2-4-19(21)28(30)31/h2-11,13H,12H2,1H3,(H,26,29)