(2R)-2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]-N-(2-nitrophenyl)propanamide

Systemtic Name: (2R)-2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]-N-(2-nitrophenyl)propanamide Openeye Name: (2R)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(2-nitrophenyl)propanamide CAS Name: (2R)-2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]thio]-N-(2-nitrophenyl)propanamide IUPAC Name: (2R)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(2-nitrophenyl)propanamide Traditional Name: (2R)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)thio]-N-(2-nitrophenyl)propionamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(N=C(N1)S[C@H](C)C(=O)NC2=CC=CC=C2[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C20H20N4O3S/c1-13-17(12-15-8-4-3-5-9-15)23-20(21-13)28-14(2)19(25)22-16-10-6-7-11-18(16)24(26)27/h3-11,14H,12H2,1-2H3,(H,21,23)(H,22,25)/t14-/m1/s1