N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-nitrophenyl)-5-thiophen-2-yl-pyrazole-3-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-nitrophenyl)-5-thiophen-2-yl-pyrazole-3-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-nitrophenyl)-5-(2-thienyl)pyrazole-3-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-nitrophenyl)-5-thiophen-2-yl-3-pyrazolecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-nitrophenyl)-5-thiophen-2-ylpyrazole-3-carboxamide Traditional Name: N-homoveratryl-2-(3-nitrophenyl)-5-(2-thienyl)pyrazole-3-carboxamide Formula: C24H22N4O5S MolecularWeight: 478.52028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=NN2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=NN2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CS4)OC

InChI

InChI=1S/C24H22N4O5S/c1-32-21-9-8-16(13-22(21)33-2)10-11-25-24(29)20-15-19(23-7-4-12-34-23)26-27(20)17-5-3-6-18(14-17)28(30)31/h3-9,12-15H,10-11H2,1-2H3,(H,25,29)