4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(4-thiazol-2-ylphenyl)benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[4-(2-thiazolyl)phenyl]benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(4-thiazol-2-ylphenyl)benzamide Formula: C22H19N5O3S MolecularWeight: 433.48296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C4=NC=CS4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C4=NC=CS4)C)[N+](=O)[O-]

InChI

InChI=1S/C22H19N5O3S/c1-14-20(27(29)30)15(2)26(25-14)13-16-3-5-17(6-4-16)21(28)24-19-9-7-18(8-10-19)22-23-11-12-31-22/h3-12H,13H2,1-2H3,(H,24,28)