2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-(1H-benzimidazol-2-ylthio)-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(1H-benzimidazol-2-ylthio)-1-[4-(4-nitrophenyl)piperazino]ethanone Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C19H19N5O3S/c25-18(13-28-19-20-16-3-1-2-4-17(16)21-19)23-11-9-22(10-12-23)14-5-7-15(8-6-14)24(26)27/h1-8H,9-13H2,(H,20,21)