azepan-1-yl-[4-(4-bromophenyl)sulfanyl-3-nitro-phenyl]methanone

Systemtic Name: azepan-1-yl-[4-(4-bromophenyl)sulfanyl-3-nitro-phenyl]methanone Openeye Name: azepan-1-yl-[4-(4-bromophenyl)sulfanyl-3-nitro-phenyl]methanone CAS Name: 1-azepanyl-[4-[(4-bromophenyl)thio]-3-nitrophenyl]methanone IUPAC Name: azepan-1-yl-[4-(4-bromophenyl)sulfanyl-3-nitrophenyl]methanone Traditional Name: azepan-1-yl-[4-[(4-bromophenyl)thio]-3-nitro-phenyl]methanone Formula: C19H19BrN2O3S MolecularWeight: 435.33476

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C19H19BrN2O3S/c20-15-6-8-16(9-7-15)26-18-10-5-14(13-17(18)22(24)25)19(23)21-11-3-1-2-4-12-21/h5-10,13H,1-4,11-12H2