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

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(1-thiophen-2-ylethyl)benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[1-(2-thienyl)ethyl]benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-(1-thiophen-2-ylethyl)benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(1-thiophen-2-ylethyl)benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[1-(2-thienyl)ethyl]benzamide Formula: C19H20N4O3S MolecularWeight: 384.4521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC(C)C3=CC=CS3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC(C)C3=CC=CS3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O3S/c1-12(17-5-4-10-27-17)20-19(24)16-8-6-15(7-9-16)11-22-14(3)18(23(25)26)13(2)21-22/h4-10,12H,11H2,1-3H3,(H,20,24)