2-tert-butyl-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-5-methyl-pyrazole-3-carboxamide

Systemtic Name: 2-tert-butyl-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-5-methyl-pyrazole-3-carboxamide Openeye Name: 2-tert-butyl-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-5-methyl-pyrazole-3-carboxamide CAS Name: 2-tert-butyl-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-5-methyl-3-pyrazolecarboxamide IUPAC Name: 2-tert-butyl-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-5-methylpyrazole-3-carboxamide Traditional Name: 2-tert-butyl-5-methyl-N-(2-methylol-1,3-benzothiazol-5-yl)pyrazole-3-carboxamide Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)NC2=CC3=C(C=C2)SC(=N3)CO)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)NC2=CC3=C(C=C2)SC(=N3)CO)C(C)(C)C

InChI

InChI=1S/C17H20N4O2S/c1-10-7-13(21(20-10)17(2,3)4)16(23)18-11-5-6-14-12(8-11)19-15(9-22)24-14/h5-8,22H,9H2,1-4H3,(H,18,23)