N-(3,4-dimethylphenyl)-2-(3-nitrophenyl)-5-thiophen-2-yl-pyrazole-3-carboxamide

Systemtic Name: N-(3,4-dimethylphenyl)-2-(3-nitrophenyl)-5-thiophen-2-yl-pyrazole-3-carboxamide Openeye Name: N-(3,4-dimethylphenyl)-2-(3-nitrophenyl)-5-(2-thienyl)pyrazole-3-carboxamide CAS Name: N-(3,4-dimethylphenyl)-2-(3-nitrophenyl)-5-thiophen-2-yl-3-pyrazolecarboxamide IUPAC Name: N-(3,4-dimethylphenyl)-2-(3-nitrophenyl)-5-thiophen-2-ylpyrazole-3-carboxamide Traditional Name: N-(3,4-dimethylphenyl)-2-(3-nitrophenyl)-5-(2-thienyl)pyrazole-3-carboxamide Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=NN2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CS4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=NN2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CS4)C

InChI

InChI=1S/C22H18N4O3S/c1-14-8-9-16(11-15(14)2)23-22(27)20-13-19(21-7-4-10-30-21)24-25(20)17-5-3-6-18(12-17)26(28)29/h3-13H,1-2H3,(H,23,27)