N-[2-nitro-4-(trifluoromethyl)phenyl]-2-quinolin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[2-nitro-4-(trifluoromethyl)phenyl]-2-quinolin-2-ylsulfanyl-ethanamide Openeye Name: N-[2-nitro-4-(trifluoromethyl)phenyl]-2-(2-quinolylsulfanyl)acetamide CAS Name: N-[2-nitro-4-(trifluoromethyl)phenyl]-2-(2-quinolinylthio)acetamide IUPAC Name: N-[2-nitro-4-(trifluoromethyl)phenyl]-2-quinolin-2-ylsulfanylacetamide Traditional Name: N-[2-nitro-4-(trifluoromethyl)phenyl]-2-(2-quinolylthio)acetamide Formula: C18H12F3N3O3S MolecularWeight: 407.36639

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)SCC(=O)NC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)SCC(=O)NC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H12F3N3O3S/c19-18(20,21)12-6-7-14(15(9-12)24(26)27)22-16(25)10-28-17-8-5-11-3-1-2-4-13(11)23-17/h1-9H,10H2,(H,22,25)