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

Systemtic Name: 3-methyl-5-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-4-(2-methylphenyl)-1,2,4-triazole Openeye Name: 3-methyl-5-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-4-(o-tolyl)-1,2,4-triazole CAS Name: 3-methyl-5-[(3-methyl-5-nitro-4-imidazolyl)thio]-4-(2-methylphenyl)-1,2,4-triazole IUPAC Name: 3-methyl-5-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-4-(2-methylphenyl)-1,2,4-triazole Traditional Name: 3-methyl-5-[(3-methyl-5-nitro-imidazol-4-yl)thio]-4-(o-tolyl)-1,2,4-triazole Formula: C14H14N6O2S MolecularWeight: 330.36496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SC3=C(N=CN3C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SC3=C(N=CN3C)[N+](=O)[O-])C

InChI

InChI=1S/C14H14N6O2S/c1-9-6-4-5-7-11(9)19-10(2)16-17-14(19)23-13-12(20(21)22)15-8-18(13)3/h4-8H,1-3H3