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

Systemtic Name: N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-tert-butyl-pyrazol-3-yl]-3-chloranyl-adamantane-1-carboxamide Openeye Name: N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-3-chloro-adamantane-1-carboxamide CAS Name: N-[5-tert-butyl-2-(1,1-dioxo-3-thiolanyl)-3-pyrazolyl]-3-chloro-1-adamantanecarboxamide IUPAC Name: N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-3-chloroadamantane-1-carboxamide Traditional Name: N-[5-tert-butyl-2-(1,1-diketothiolan-3-yl)pyrazol-3-yl]-3-chloro-adamantane-1-carboxamide Formula: C22H32ClN3O3S MolecularWeight: 454.02578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)Cl)C5CCS(=O)(=O)C5

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)Cl)C5CCS(=O)(=O)C5

InChI

InChI=1S/C22H32ClN3O3S/c1-20(2,3)17-7-18(26(25-17)16-4-5-30(28,29)12-16)24-19(27)21-8-14-6-15(9-21)11-22(23,10-14)13-21/h7,14-16H,4-6,8-13H2,1-3H3,(H,24,27)