N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-tert-butyl-pyrazol-3-yl]-2-(4-pyrrol-1-ylphenyl)ethanamide

Systemtic Name: N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-tert-butyl-pyrazol-3-yl]-2-(4-pyrrol-1-ylphenyl)ethanamide Openeye Name: N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-2-(4-pyrrol-1-ylphenyl)acetamide CAS Name: N-[5-tert-butyl-2-(1,1-dioxo-3-thiolanyl)-3-pyrazolyl]-2-[4-(1-pyrrolyl)phenyl]acetamide IUPAC Name: N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-2-(4-pyrrol-1-ylphenyl)acetamide Traditional Name: N-[5-tert-butyl-2-(1,1-diketothiolan-3-yl)pyrazol-3-yl]-2-(4-pyrrol-1-ylphenyl)acetamide Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)CC2=CC=C(C=C2)N3C=CC=C3)C4CCS(=O)(=O)C4

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)CC2=CC=C(C=C2)N3C=CC=C3)C4CCS(=O)(=O)C4

InChI

InChI=1S/C23H28N4O3S/c1-23(2,3)20-15-21(27(25-20)19-10-13-31(29,30)16-19)24-22(28)14-17-6-8-18(9-7-17)26-11-4-5-12-26/h4-9,11-12,15,19H,10,13-14,16H2,1-3H3,(H,24,28)