N-(2-chloranyl-5-nitro-phenyl)-2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]propanamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]propanamide Openeye Name: 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(2-chloro-5-nitro-phenyl)propanamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]thio]propanamide IUPAC Name: 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(2-chloro-5-nitrophenyl)propanamide Traditional Name: 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)thio]-N-(2-chloro-5-nitro-phenyl)propionamide Formula: C20H19ClN4O3S MolecularWeight: 430.90786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)SC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(N=C(N1)SC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)CC3=CC=CC=C3

InChI

InChI=1S/C20H19ClN4O3S/c1-12-17(10-14-6-4-3-5-7-14)24-20(22-12)29-13(2)19(26)23-18-11-15(25(27)28)8-9-16(18)21/h3-9,11,13H,10H2,1-2H3,(H,22,24)(H,23,26)