(4-chloranyl-3-nitro-phenyl)-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone

Systemtic Name: (4-chloranyl-3-nitro-phenyl)-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone Openeye Name: (4-chloro-3-nitro-phenyl)-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone CAS Name: (4-chloro-3-nitrophenyl)-[2-[(3-nitrophenyl)methylthio]-4,5-dihydroimidazol-1-yl]methanone IUPAC Name: (4-chloro-3-nitrophenyl)-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone Traditional Name: (4-chloro-3-nitro-phenyl)-[2-[(3-nitrobenzyl)thio]-2-imidazolin-1-yl]methanone Formula: C17H13ClN4O5S MolecularWeight: 420.82692

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=N1)SCC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(C(=N1)SCC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H13ClN4O5S/c18-14-5-4-12(9-15(14)22(26)27)16(23)20-7-6-19-17(20)28-10-11-2-1-3-13(8-11)21(24)25/h1-5,8-9H,6-7,10H2