2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-nitrophenyl)propanamide

Systemtic Name: 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-nitrophenyl)propanamide Openeye Name: 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-nitrophenyl)propanamide CAS Name: 2-[[1-(3,5-dimethylphenyl)-2-imidazolyl]thio]-N-(2-nitrophenyl)propanamide IUPAC Name: 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-nitrophenyl)propanamide Traditional Name: 2-[[1-(3,5-dimethylphenyl)imidazol-2-yl]thio]-N-(2-nitrophenyl)propionamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C=CN=C2SC(C)C(=O)NC3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C=CN=C2SC(C)C(=O)NC3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C20H20N4O3S/c1-13-10-14(2)12-16(11-13)23-9-8-21-20(23)28-15(3)19(25)22-17-6-4-5-7-18(17)24(26)27/h4-12,15H,1-3H3,(H,22,25)