N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]ethanamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]ethanamide Openeye Name: N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]acetamide CAS Name: N-(1,1-dioxo-3-thiolanyl)-N-methyl-2-[3-(4-nitrophenyl)-1-phenyl-4-pyrazolyl]acetamide IUPAC Name: N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]acetamide Traditional Name: N-(1,1-diketothiolan-3-yl)-N-methyl-2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]acetamide Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C(=O)CC2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CN(C1CCS(=O)(=O)C1)C(=O)CC2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H22N4O5S/c1-24(20-11-12-32(30,31)15-20)21(27)13-17-14-25(18-5-3-2-4-6-18)23-22(17)16-7-9-19(10-8-16)26(28)29/h2-10,14,20H,11-13,15H2,1H3