4-methylsulfanyl-3-nitro-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 4-methylsulfanyl-3-nitro-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide Openeye Name: 4-methylsulfanyl-3-nitro-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide CAS Name: 4-(methylthio)-3-nitro-N-[2-(1-pyrrolidinyl)-5-(trifluoromethyl)phenyl]benzamide IUPAC Name: 4-methylsulfanyl-3-nitro-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide Traditional Name: 4-(methylthio)-3-nitro-N-[2-pyrrolidino-5-(trifluoromethyl)phenyl]benzamide Formula: C19H18F3N3O3S MolecularWeight: 425.42473

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H18F3N3O3S/c1-29-17-7-4-12(10-16(17)25(27)28)18(26)23-14-11-13(19(20,21)22)5-6-15(14)24-8-2-3-9-24/h4-7,10-11H,2-3,8-9H2,1H3,(H,23,26)