[4-[(3-fluorophenyl)methylsulfanyl]-3-nitro-phenyl]-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: [4-[(3-fluorophenyl)methylsulfanyl]-3-nitro-phenyl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [4-[(3-fluorophenyl)methylsulfanyl]-3-nitro-phenyl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [4-[(3-fluorophenyl)methylthio]-3-nitrophenyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [4-[(3-fluorophenyl)methylsulfanyl]-3-nitrophenyl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [4-[(3-fluorobenzyl)thio]-3-nitro-phenyl]-(4-phenylpiperazino)methanone Formula: C24H22FN3O3S MolecularWeight: 451.513183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)SCC4=CC(=CC=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)SCC4=CC(=CC=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C24H22FN3O3S/c25-20-6-4-5-18(15-20)17-32-23-10-9-19(16-22(23)28(30)31)24(29)27-13-11-26(12-14-27)21-7-2-1-3-8-21/h1-10,15-16H,11-14,17H2