N-(4-chlorophenyl)-5-nitro-2-propan-2-yl-imidazole-1-carbothioamide

Systemtic Name: N-(4-chlorophenyl)-5-nitro-2-propan-2-yl-imidazole-1-carbothioamide Openeye Name: N-(4-chlorophenyl)-2-isopropyl-5-nitro-imidazole-1-carbothioamide CAS Name: N-(4-chlorophenyl)-5-nitro-2-propan-2-yl-1-imidazolecarbothioamide IUPAC Name: N-(4-chlorophenyl)-5-nitro-2-propan-2-ylimidazole-1-carbothioamide Traditional Name: N-(4-chlorophenyl)-2-isopropyl-5-nitro-imidazole-1-carbothioamide Formula: C13H13ClN4O2S MolecularWeight: 324.78592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC=C(N1C(=S)NC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=NC=C(N1C(=S)NC2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H13ClN4O2S/c1-8(2)12-15-7-11(18(19)20)17(12)13(21)16-10-5-3-9(14)4-6-10/h3-8H,1-2H3,(H,16,21)