N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-tert-butyl-pyrazol-3-yl]-2-chloranyl-pyridine-4-carboxamide

Systemtic Name: N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-tert-butyl-pyrazol-3-yl]-2-chloranyl-pyridine-4-carboxamide Openeye Name: N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-2-chloro-pyridine-4-carboxamide CAS Name: N-[5-tert-butyl-2-(1,1-dioxo-3-thiolanyl)-3-pyrazolyl]-2-chloro-4-pyridinecarboxamide IUPAC Name: N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-2-chloropyridine-4-carboxamide Traditional Name: N-[5-tert-butyl-2-(1,1-diketothiolan-3-yl)pyrazol-3-yl]-2-chloro-isonicotinamide Formula: C17H21ClN4O3S MolecularWeight: 396.89164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC(=NC=C2)Cl)C3CCS(=O)(=O)C3

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC(=NC=C2)Cl)C3CCS(=O)(=O)C3

InChI

InChI=1S/C17H21ClN4O3S/c1-17(2,3)13-9-15(20-16(23)11-4-6-19-14(18)8-11)22(21-13)12-5-7-26(24,25)10-12/h4,6,8-9,12H,5,7,10H2,1-3H3,(H,20,23)