N-[(4-fluorophenyl)methyl]-2-(4-methylsulfanyl-3-nitro-phenyl)carbonyl-benzamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-2-(4-methylsulfanyl-3-nitro-phenyl)carbonyl-benzamide Openeye Name: N-[(4-fluorophenyl)methyl]-2-(4-methylsulfanyl-3-nitro-benzoyl)benzamide CAS Name: N-[(4-fluorophenyl)methyl]-2-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]benzamide IUPAC Name: N-[(4-fluorophenyl)methyl]-2-(4-methylsulfanyl-3-nitrobenzoyl)benzamide Traditional Name: N-(4-fluorobenzyl)-2-[4-(methylthio)-3-nitro-benzoyl]benzamide Formula: C22H17FN2O4S MolecularWeight: 424.444783

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)NCC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)NCC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C22H17FN2O4S/c1-30-20-11-8-15(12-19(20)25(28)29)21(26)17-4-2-3-5-18(17)22(27)24-13-14-6-9-16(23)10-7-14/h2-12H,13H2,1H3,(H,24,27)