[4-(5-chloranyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]-(5-methyl-4-nitro-thiophen-2-yl)methanone

Systemtic Name: [4-(5-chloranyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]-(5-methyl-4-nitro-thiophen-2-yl)methanone Openeye Name: [4-(5-chloro-2-fluoro-benzoyl)piperazin-1-yl]-(5-methyl-4-nitro-2-thienyl)methanone CAS Name: [4-[(5-chloro-2-fluorophenyl)-oxomethyl]-1-piperazinyl]-(5-methyl-4-nitro-2-thiophenyl)methanone IUPAC Name: [4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-(5-methyl-4-nitrothiophen-2-yl)methanone Traditional Name: [4-(5-chloro-2-fluoro-benzoyl)piperazino]-(5-methyl-4-nitro-2-thienyl)methanone Formula: C17H15ClFN3O4S MolecularWeight: 411.835103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)Cl)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(S1)C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)Cl)F)[N+](=O)[O-]

InChI

InChI=1S/C17H15ClFN3O4S/c1-10-14(22(25)26)9-15(27-10)17(24)21-6-4-20(5-7-21)16(23)12-8-11(18)2-3-13(12)19/h2-3,8-9H,4-7H2,1H3