(2,4-dimethylphenyl)-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]methanone

Systemtic Name: (2,4-dimethylphenyl)-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]methanone Openeye Name: (2,4-dimethylphenyl)-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]methanone CAS Name: (2,4-dimethylphenyl)-[4-[(1-methyl-2-imidazolyl)thio]-3-nitrophenyl]methanone IUPAC Name: (2,4-dimethylphenyl)-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]methanone Traditional Name: (2,4-dimethylphenyl)-[4-[(1-methylimidazol-2-yl)thio]-3-nitro-phenyl]methanone Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2=CC(=C(C=C2)SC3=NC=CN3C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2=CC(=C(C=C2)SC3=NC=CN3C)[N+](=O)[O-])C

InChI

InChI=1S/C19H17N3O3S/c1-12-4-6-15(13(2)10-12)18(23)14-5-7-17(16(11-14)22(24)25)26-19-20-8-9-21(19)3/h4-11H,1-3H3