4-cyclohexyl-3-(3-methyl-2-nitro-phenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-cyclohexyl-3-(3-methyl-2-nitro-phenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-cyclohexyl-3-(3-methyl-2-nitro-phenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-cyclohexyl-3-(3-methyl-2-nitrophenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-cyclohexyl-3-(3-methyl-2-nitrophenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-cyclohexyl-3-(3-methyl-2-nitro-phenyl)-1H-1,2,4-triazole-5-thione Formula: C15H18N4O2S MolecularWeight: 318.39402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C2=NNC(=S)N2C3CCCCC3

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C2=NNC(=S)N2C3CCCCC3

InChI

InChI=1S/C15H18N4O2S/c1-10-6-5-9-12(13(10)19(20)21)14-16-17-15(22)18(14)11-7-3-2-4-8-11/h5-6,9,11H,2-4,7-8H2,1H3,(H,17,22)