N-(4-fluorophenyl)-4-(3-methylbutylsulfanyl)-3-nitro-benzamide

Systemtic Name: N-(4-fluorophenyl)-4-(3-methylbutylsulfanyl)-3-nitro-benzamide Openeye Name: N-(4-fluorophenyl)-4-isopentylsulfanyl-3-nitro-benzamide CAS Name: N-(4-fluorophenyl)-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-(4-fluorophenyl)-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: N-(4-fluorophenyl)-4-(isoamylthio)-3-nitro-benzamide Formula: C18H19FN2O3S MolecularWeight: 362.418463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19FN2O3S/c1-12(2)9-10-25-17-8-3-13(11-16(17)21(23)24)18(22)20-15-6-4-14(19)5-7-15/h3-8,11-12H,9-10H2,1-2H3,(H,20,22)