N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

Systemtic Name: N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide Openeye Name: N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-5-(2-thienyl)-1H-pyrazole-3-carboxamide CAS Name: N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide IUPAC Name: N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide Traditional Name: N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-5-(2-thienyl)-1H-pyrazole-3-carboxamide Formula: C23H20N4O4S MolecularWeight: 448.4943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NNC(=C3)C4=CC=CS4)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NNC(=C3)C4=CC=CS4)C)C

InChI

InChI=1S/C23H20N4O4S/c1-13-7-14(2)15(3)21(8-13)31-18-10-16(9-17(11-18)27(29)30)24-23(28)20-12-19(25-26-20)22-5-4-6-32-22/h4-12H,1-3H3,(H,24,28)(H,25,26)