azepan-1-yl-[2-(2-fluorophenyl)sulfanyl-5-nitro-phenyl]methanone

Systemtic Name: azepan-1-yl-[2-(2-fluorophenyl)sulfanyl-5-nitro-phenyl]methanone Openeye Name: azepan-1-yl-[2-(2-fluorophenyl)sulfanyl-5-nitro-phenyl]methanone CAS Name: 1-azepanyl-[2-[(2-fluorophenyl)thio]-5-nitrophenyl]methanone IUPAC Name: azepan-1-yl-[2-(2-fluorophenyl)sulfanyl-5-nitrophenyl]methanone Traditional Name: azepan-1-yl-[2-[(2-fluorophenyl)thio]-5-nitro-phenyl]methanone Formula: C19H19FN2O3S MolecularWeight: 374.429163

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=CC=C3F

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=CC=C3F

InChI

InChI=1S/C19H19FN2O3S/c20-16-7-3-4-8-18(16)26-17-10-9-14(22(24)25)13-15(17)19(23)21-11-5-1-2-6-12-21/h3-4,7-10,13H,1-2,5-6,11-12H2