2-(4-nitrophenyl)sulfanyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-(4-nitrophenyl)sulfanyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-(4-nitrophenyl)sulfanyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[(4-nitrophenyl)thio]-N-[2-(1-pyrrolidinyl)-5-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-(4-nitrophenyl)sulfanyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[(4-nitrophenyl)thio]-N-[2-pyrrolidino-5-(trifluoromethyl)phenyl]acetamide Formula: C19H18F3N3O3S MolecularWeight: 425.42473

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18F3N3O3S/c20-19(21,22)13-3-8-17(24-9-1-2-10-24)16(11-13)23-18(26)12-29-15-6-4-14(5-7-15)25(27)28/h3-8,11H,1-2,9-10,12H2,(H,23,26)