N-(3-methylsulfanylphenyl)-3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanamide

Systemtic Name: N-(3-methylsulfanylphenyl)-3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanamide Openeye Name: N-(3-methylsulfanylphenyl)-3-[2-nitro-4-(trifluoromethyl)anilino]propanamide CAS Name: N-[3-(methylthio)phenyl]-3-[2-nitro-4-(trifluoromethyl)anilino]propanamide IUPAC Name: N-(3-methylsulfanylphenyl)-3-[2-nitro-4-(trifluoromethyl)anilino]propanamide Traditional Name: N-[3-(methylthio)phenyl]-3-[2-nitro-4-(trifluoromethyl)anilino]propionamide Formula: C17H16F3N3O3S MolecularWeight: 399.38745

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)CCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)CCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H16F3N3O3S/c1-27-13-4-2-3-12(10-13)22-16(24)7-8-21-14-6-5-11(17(18,19)20)9-15(14)23(25)26/h2-6,9-10,21H,7-8H2,1H3,(H,22,24)