2-[[5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[[5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[5-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C17H19N7O3S MolecularWeight: 401.44286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=NN=C(N2C)SCC(=O)NC3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=NN=C(N2C)SCC(=O)NC3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C17H19N7O3S/c1-11-16(24(26)27)12(2)23(21-11)9-14-19-20-17(22(14)3)28-10-15(25)18-13-7-5-4-6-8-13/h4-8H,9-10H2,1-3H3,(H,18,25)