N-(5-fluoranyl-2-methyl-phenyl)-4-(3-methylbutylsulfanyl)-3-nitro-benzamide

Systemtic Name: N-(5-fluoranyl-2-methyl-phenyl)-4-(3-methylbutylsulfanyl)-3-nitro-benzamide Openeye Name: N-(5-fluoro-2-methyl-phenyl)-4-isopentylsulfanyl-3-nitro-benzamide CAS Name: N-(5-fluoro-2-methylphenyl)-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-(5-fluoro-2-methylphenyl)-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: N-(5-fluoro-2-methyl-phenyl)-4-(isoamylthio)-3-nitro-benzamide Formula: C19H21FN2O3S MolecularWeight: 376.445043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)NC(=O)C2=CC(=C(C=C2)SCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)F)NC(=O)C2=CC(=C(C=C2)SCCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H21FN2O3S/c1-12(2)8-9-26-18-7-5-14(10-17(18)22(24)25)19(23)21-16-11-15(20)6-4-13(16)3/h4-7,10-12H,8-9H2,1-3H3,(H,21,23)