N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-1-phenyl-5-propyl-pyrazole-4-carboxamide

Systemtic Name: N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-1-phenyl-5-propyl-pyrazole-4-carboxamide Openeye Name: N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-1-phenyl-5-propyl-pyrazole-4-carboxamide CAS Name: N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-1-phenyl-5-propyl-4-pyrazolecarboxamide IUPAC Name: N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-1-phenyl-5-propylpyrazole-4-carboxamide Traditional Name: N-(2-methylol-1,3-benzothiazol-5-yl)-1-phenyl-5-propyl-pyrazole-4-carboxamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)SC(=N4)CO

Isomeric SMILES

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)SC(=N4)CO

InChI

InChI=1S/C21H20N4O2S/c1-2-6-18-16(12-22-25(18)15-7-4-3-5-8-15)21(27)23-14-9-10-19-17(11-14)24-20(13-26)28-19/h3-5,7-12,26H,2,6,13H2,1H3,(H,23,27)