N-[4-(tert-butylcarbamoyl)-6-ethynyl-1,3-benzoxathiol-5-yl]-2-(3-chloranylpyridin-2-yl)-5-methoxy-pyrazole-3-carboxamide

Systemtic Name: N-[4-(tert-butylcarbamoyl)-6-ethynyl-1,3-benzoxathiol-5-yl]-2-(3-chloranylpyridin-2-yl)-5-methoxy-pyrazole-3-carboxamide Openeye Name: N-[4-(tert-butylcarbamoyl)-6-ethynyl-1,3-benzoxathiol-5-yl]-2-(3-chloro-2-pyridyl)-5-methoxy-pyrazole-3-carboxamide CAS Name: N-[4-[(tert-butylamino)-oxomethyl]-6-ethynyl-1,3-benzoxathiol-5-yl]-2-(3-chloro-2-pyridinyl)-5-methoxy-3-pyrazolecarboxamide IUPAC Name: N-[4-(tert-butylcarbamoyl)-6-ethynyl-1,3-benzoxathiol-5-yl]-2-(3-chloropyridin-2-yl)-5-methoxypyrazole-3-carboxamide Traditional Name: N-[4-(tert-butylcarbamoyl)-6-ethynyl-1,3-benzoxathiol-5-yl]-2-(3-chloro-2-pyridyl)-5-methoxy-pyrazole-3-carboxamide Formula: C24H22ClN5O4S MolecularWeight: 511.98058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=C(C(=CC2=C1SCO2)C#C)NC(=O)C3=CC(=NN3C4=C(C=CC=N4)Cl)OC

Isomeric SMILES

CC(C)(C)NC(=O)C1=C(C(=CC2=C1SCO2)C#C)NC(=O)C3=CC(=NN3C4=C(C=CC=N4)Cl)OC

InChI

InChI=1S/C24H22ClN5O4S/c1-6-13-10-16-20(35-12-34-16)18(23(32)28-24(2,3)4)19(13)27-22(31)15-11-17(33-5)29-30(15)21-14(25)8-7-9-26-21/h1,7-11H,12H2,2-5H3,(H,27,31)(H,28,32)