2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methyl-3-nitro-phenyl)propanamide

Systemtic Name: 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methyl-3-nitro-phenyl)propanamide Openeye Name: 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methyl-3-nitro-phenyl)propanamide CAS Name: 2-[[1-(4-methoxyphenyl)-2-imidazolyl]thio]-N-(2-methyl-3-nitrophenyl)propanamide IUPAC Name: 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methyl-3-nitrophenyl)propanamide Traditional Name: 2-[[1-(4-methoxyphenyl)imidazol-2-yl]thio]-N-(2-methyl-3-nitro-phenyl)propionamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C(C)SC2=NC=CN2C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C(C)SC2=NC=CN2C3=CC=C(C=C3)OC

InChI

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