[4-[3-(1H-benzimidazol-2-ylsulfanyl)-4-nitro-phenyl]piperazin-1-yl]-(4-fluorophenyl)methanone

Systemtic Name: [4-[3-(1H-benzimidazol-2-ylsulfanyl)-4-nitro-phenyl]piperazin-1-yl]-(4-fluorophenyl)methanone Openeye Name: [4-[3-(1H-benzimidazol-2-ylsulfanyl)-4-nitro-phenyl]piperazin-1-yl]-(4-fluorophenyl)methanone CAS Name: [4-[3-(1H-benzimidazol-2-ylthio)-4-nitrophenyl]-1-piperazinyl]-(4-fluorophenyl)methanone IUPAC Name: [4-[3-(1H-benzimidazol-2-ylsulfanyl)-4-nitrophenyl]piperazin-1-yl]-(4-fluorophenyl)methanone Traditional Name: [4-[3-(1H-benzimidazol-2-ylthio)-4-nitro-phenyl]piperazino]-(4-fluorophenyl)methanone Formula: C24H20FN5O3S MolecularWeight: 477.510703

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])SC3=NC4=CC=CC=C4N3)C(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])SC3=NC4=CC=CC=C4N3)C(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C24H20FN5O3S/c25-17-7-5-16(6-8-17)23(31)29-13-11-28(12-14-29)18-9-10-21(30(32)33)22(15-18)34-24-26-19-3-1-2-4-20(19)27-24/h1-10,15H,11-14H2,(H,26,27)