N-[3-ethanoyl-2-[1-(4-nitrophenyl)-3-phenyl-pyrazol-4-yl]-2H-1,3,4-thiadiazol-5-yl]-N-methyl-ethanamide

Systemtic Name: N-[3-ethanoyl-2-[1-(4-nitrophenyl)-3-phenyl-pyrazol-4-yl]-2H-1,3,4-thiadiazol-5-yl]-N-methyl-ethanamide Openeye Name: N-[3-acetyl-2-[1-(4-nitrophenyl)-3-phenyl-pyrazol-4-yl]-2H-1,3,4-thiadiazol-5-yl]-N-methyl-acetamide CAS Name: N-[3-acetyl-2-[1-(4-nitrophenyl)-3-phenyl-4-pyrazolyl]-2H-1,3,4-thiadiazol-5-yl]-N-methylacetamide IUPAC Name: N-[3-acetyl-2-[1-(4-nitrophenyl)-3-phenylpyrazol-4-yl]-2H-1,3,4-thiadiazol-5-yl]-N-methylacetamide Traditional Name: N-[3-acetyl-2-[1-(4-nitrophenyl)-3-phenyl-pyrazol-4-yl]-2H-1,3,4-thiadiazol-5-yl]-N-methyl-acetamide Formula: C22H20N6O4S MolecularWeight: 464.497

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(SC(=N1)N(C)C(=O)C)C2=CN(N=C2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1C(SC(=N1)N(C)C(=O)C)C2=CN(N=C2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H20N6O4S/c1-14(29)25(3)22-24-27(15(2)30)21(33-22)19-13-26(17-9-11-18(12-10-17)28(31)32)23-20(19)16-7-5-4-6-8-16/h4-13,21H,1-3H3