N-[(4-fluorophenyl)methyl]-4-(4-methylphenyl)sulfanyl-3-nitro-benzamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-4-(4-methylphenyl)sulfanyl-3-nitro-benzamide Openeye Name: N-[(4-fluorophenyl)methyl]-3-nitro-4-(p-tolylsulfanyl)benzamide CAS Name: N-[(4-fluorophenyl)methyl]-4-[(4-methylphenyl)thio]-3-nitrobenzamide IUPAC Name: N-[(4-fluorophenyl)methyl]-4-(4-methylphenyl)sulfanyl-3-nitrobenzamide Traditional Name: N-(4-fluorobenzyl)-3-nitro-4-(p-tolylthio)benzamide Formula: C21H17FN2O3S MolecularWeight: 396.434683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C21H17FN2O3S/c1-14-2-9-18(10-3-14)28-20-11-6-16(12-19(20)24(26)27)21(25)23-13-15-4-7-17(22)8-5-15/h2-12H,13H2,1H3,(H,23,25)