2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-methoxy-2-nitro-phenyl)ethanamide

Systemtic Name: 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-methoxy-2-nitro-phenyl)ethanamide Openeye Name: 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-methoxy-2-nitro-phenyl)acetamide CAS Name: 2-[[1-(3,5-dimethylphenyl)-2-imidazolyl]thio]-N-(4-methoxy-2-nitrophenyl)acetamide IUPAC Name: 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-methoxy-2-nitrophenyl)acetamide Traditional Name: 2-[[1-(3,5-dimethylphenyl)imidazol-2-yl]thio]-N-(4-methoxy-2-nitro-phenyl)acetamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C=CN=C2SCC(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C=CN=C2SCC(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-])C

InChI

InChI=1S/C20H20N4O4S/c1-13-8-14(2)10-15(9-13)23-7-6-21-20(23)29-12-19(25)22-17-5-4-16(28-3)11-18(17)24(26)27/h4-11H,12H2,1-3H3,(H,22,25)