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

Systemtic Name: (4-methyl-3-nitro-phenyl)-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone Openeye Name: (4-methyl-3-nitro-phenyl)-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone CAS Name: (4-methyl-3-nitrophenyl)-[2-[(3-nitrophenyl)methylthio]-4,5-dihydroimidazol-1-yl]methanone IUPAC Name: (4-methyl-3-nitrophenyl)-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone Traditional Name: (4-methyl-3-nitro-phenyl)-[2-[(3-nitrobenzyl)thio]-2-imidazolin-1-yl]methanone Formula: C18H16N4O5S MolecularWeight: 400.40844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O5S/c1-12-5-6-14(10-16(12)22(26)27)17(23)20-8-7-19-18(20)28-11-13-3-2-4-15(9-13)21(24)25/h2-6,9-10H,7-8,11H2,1H3