2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-(1-amino-4-phenyl-imidazol-2-yl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-[(1-amino-4-phenyl-2-imidazolyl)thio]-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(1-amino-4-phenyl-imidazol-2-yl)thio]-1-[4-(4-nitrophenyl)piperazino]ethanone Formula: C21H22N6O3S MolecularWeight: 438.50278

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CSC3=NC(=CN3N)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CSC3=NC(=CN3N)C4=CC=CC=C4

InChI

InChI=1S/C21H22N6O3S/c22-26-14-19(16-4-2-1-3-5-16)23-21(26)31-15-20(28)25-12-10-24(11-13-25)17-6-8-18(9-7-17)27(29)30/h1-9,14H,10-13,15,22H2