2-[1-(2,4-dimethylphenyl)-4-(4-nitrophenyl)imidazol-2-yl]sulfanyl-1-phenyl-ethanone

Systemtic Name: 2-[1-(2,4-dimethylphenyl)-4-(4-nitrophenyl)imidazol-2-yl]sulfanyl-1-phenyl-ethanone Openeye Name: 2-[1-(2,4-dimethylphenyl)-4-(4-nitrophenyl)imidazol-2-yl]sulfanyl-1-phenyl-ethanone CAS Name: 2-[[1-(2,4-dimethylphenyl)-4-(4-nitrophenyl)-2-imidazolyl]thio]-1-phenylethanone IUPAC Name: 2-[1-(2,4-dimethylphenyl)-4-(4-nitrophenyl)imidazol-2-yl]sulfanyl-1-phenylethanone Traditional Name: 2-[[1-(2,4-dimethylphenyl)-4-(4-nitrophenyl)imidazol-2-yl]thio]-1-phenyl-ethanone Formula: C25H21N3O3S MolecularWeight: 443.51754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=C(N=C2SCC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=C(N=C2SCC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C25H21N3O3S/c1-17-8-13-23(18(2)14-17)27-15-22(19-9-11-21(12-10-19)28(30)31)26-25(27)32-16-24(29)20-6-4-3-5-7-20/h3-15H,16H2,1-2H3