[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: [4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: [4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: [4-[(1H-benzimidazol-2-ylthio)methyl]phenyl]-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: [4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [4-[(1H-benzimidazol-2-ylthio)methyl]phenyl]-[4-(4-nitrophenyl)piperazino]methanone Formula: C25H23N5O3S MolecularWeight: 473.54682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C25H23N5O3S/c31-24(29-15-13-28(14-16-29)20-9-11-21(12-10-20)30(32)33)19-7-5-18(6-8-19)17-34-25-26-22-3-1-2-4-23(22)27-25/h1-12H,13-17H2,(H,26,27)