N-[(2-fluorophenyl)methyl]-4-(3-methylbutylsulfanyl)-3-nitro-benzamide

Systemtic Name: N-[(2-fluorophenyl)methyl]-4-(3-methylbutylsulfanyl)-3-nitro-benzamide Openeye Name: N-[(2-fluorophenyl)methyl]-4-isopentylsulfanyl-3-nitro-benzamide CAS Name: N-[(2-fluorophenyl)methyl]-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-[(2-fluorophenyl)methyl]-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: N-(2-fluorobenzyl)-4-(isoamylthio)-3-nitro-benzamide Formula: C19H21FN2O3S MolecularWeight: 376.445043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=C2F)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=C2F)[N+](=O)[O-]

InChI

InChI=1S/C19H21FN2O3S/c1-13(2)9-10-26-18-8-7-14(11-17(18)22(24)25)19(23)21-12-15-5-3-4-6-16(15)20/h3-8,11,13H,9-10,12H2,1-2H3,(H,21,23)