3-[3-[(4-chlorophenyl)methyl]-2-methyl-5-nitro-imidazol-4-yl]sulfanylpropanenitrile

Systemtic Name: 3-[3-[(4-chlorophenyl)methyl]-2-methyl-5-nitro-imidazol-4-yl]sulfanylpropanenitrile Openeye Name: 3-[3-[(4-chlorophenyl)methyl]-2-methyl-5-nitro-imidazol-4-yl]sulfanylpropanenitrile CAS Name: 3-[[3-[(4-chlorophenyl)methyl]-2-methyl-5-nitro-4-imidazolyl]thio]propanenitrile IUPAC Name: 3-[3-[(4-chlorophenyl)methyl]-2-methyl-5-nitroimidazol-4-yl]sulfanylpropanenitrile Traditional Name: 3-[[3-(4-chlorobenzyl)-2-methyl-5-nitro-imidazol-4-yl]thio]propionitrile Formula: C14H13ClN4O2S MolecularWeight: 336.79662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1CC2=CC=C(C=C2)Cl)SCCC#N)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(N1CC2=CC=C(C=C2)Cl)SCCC#N)[N+](=O)[O-]

InChI

InChI=1S/C14H13ClN4O2S/c1-10-17-13(19(20)21)14(22-8-2-7-16)18(10)9-11-3-5-12(15)6-4-11/h3-6H,2,8-9H2,1H3