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

Systemtic Name: N-(4-chloranyl-2-fluoranyl-phenyl)-4-(3-methylbutylsulfanyl)-3-nitro-benzamide Openeye Name: N-(4-chloro-2-fluoro-phenyl)-4-isopentylsulfanyl-3-nitro-benzamide CAS Name: N-(4-chloro-2-fluorophenyl)-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-(4-chloro-2-fluorophenyl)-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: N-(4-chloro-2-fluoro-phenyl)-4-(isoamylthio)-3-nitro-benzamide Formula: C18H18ClFN2O3S MolecularWeight: 396.863523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)Cl)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)Cl)F)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClFN2O3S/c1-11(2)7-8-26-17-6-3-12(9-16(17)22(24)25)18(23)21-15-5-4-13(19)10-14(15)20/h3-6,9-11H,7-8H2,1-2H3,(H,21,23)