[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-(2-methylsulfanyl-3-phenyl-imidazol-4-yl)methanone

Systemtic Name: [4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-(2-methylsulfanyl-3-phenyl-imidazol-4-yl)methanone Openeye Name: [4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-(2-methylsulfanyl-3-phenyl-imidazol-4-yl)methanone CAS Name: [4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-[2-(methylthio)-3-phenyl-4-imidazolyl]methanone IUPAC Name: [4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone Traditional Name: [4-(4-chloro-2-nitro-phenyl)piperazino]-[2-(methylthio)-3-phenyl-imidazol-4-yl]methanone Formula: C21H20ClN5O3S MolecularWeight: 457.9332

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H20ClN5O3S/c1-31-21-23-14-19(26(21)16-5-3-2-4-6-16)20(28)25-11-9-24(10-12-25)17-8-7-15(22)13-18(17)27(29)30/h2-8,13-14H,9-12H2,1H3