3-(4-chlorophenyl)-4-methyl-5-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1,2,4-triazole

Systemtic Name: 3-(4-chlorophenyl)-4-methyl-5-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1,2,4-triazole Openeye Name: 3-(4-chlorophenyl)-4-methyl-5-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1,2,4-triazole CAS Name: 3-(4-chlorophenyl)-4-methyl-5-[(3-methyl-5-nitro-4-imidazolyl)thio]-1,2,4-triazole IUPAC Name: 3-(4-chlorophenyl)-4-methyl-5-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-1,2,4-triazole Traditional Name: 3-(4-chlorophenyl)-4-methyl-5-[(3-methyl-5-nitro-imidazol-4-yl)thio]-1,2,4-triazole Formula: C13H11ClN6O2S MolecularWeight: 350.78344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1SC2=NN=C(N2C)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1SC2=NN=C(N2C)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H11ClN6O2S/c1-18-7-15-11(20(21)22)12(18)23-13-17-16-10(19(13)2)8-3-5-9(14)6-4-8/h3-7H,1-2H3