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

Systemtic Name: [4-(4-bromophenyl)sulfanyl-3-nitro-phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-(4-bromophenyl)sulfanyl-3-nitro-phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[(4-bromophenyl)thio]-3-nitrophenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-(4-bromophenyl)sulfanyl-3-nitrophenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[(4-bromophenyl)thio]-3-nitro-phenyl]-pyrrolidino-methanone Formula: C17H15BrN2O3S MolecularWeight: 407.2816

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H15BrN2O3S/c18-13-4-6-14(7-5-13)24-16-8-3-12(11-15(16)20(22)23)17(21)19-9-1-2-10-19/h3-8,11H,1-2,9-10H2