2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]ethanamide

Systemtic Name: 2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]ethanamide Openeye Name: 2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]-N-[2-(3-thienylmethylsulfanyl)ethyl]acetamide CAS Name: 2-[3-(4-nitrophenyl)-1-phenyl-4-pyrazolyl]-N-[2-(3-thiophenylmethylthio)ethyl]acetamide IUPAC Name: 2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide Traditional Name: 2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]-N-[2-(3-thenylthio)ethyl]acetamide Formula: C24H22N4O3S2 MolecularWeight: 478.58648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)[N+](=O)[O-])CC(=O)NCCSCC4=CSC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)[N+](=O)[O-])CC(=O)NCCSCC4=CSC=C4

InChI

InChI=1S/C24H22N4O3S2/c29-23(25-11-13-33-17-18-10-12-32-16-18)14-20-15-27(21-4-2-1-3-5-21)26-24(20)19-6-8-22(9-7-19)28(30)31/h1-10,12,15-16H,11,13-14,17H2,(H,25,29)