N-ethyl-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-ethyl-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-ethyl-N-[(3-fluoro-4-methoxy-phenyl)methyl]-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-ethyl-N-(3-fluoro-4-methoxy-benzyl)-4-(methylthio)-3-nitro-benzamide Formula: C18H19FN2O4S MolecularWeight: 378.417863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OC)F)C(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OC)F)C(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C18H19FN2O4S/c1-4-20(11-12-5-7-16(25-2)14(19)9-12)18(22)13-6-8-17(26-3)15(10-13)21(23)24/h5-10H,4,11H2,1-3H3