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

Systemtic Name: 1-(4-chlorophenyl)-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-5-propyl-pyrazole-4-carboxamide Openeye Name: 1-(4-chlorophenyl)-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-5-propyl-pyrazole-4-carboxamide CAS Name: 1-(4-chlorophenyl)-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-5-propyl-4-pyrazolecarboxamide IUPAC Name: 1-(4-chlorophenyl)-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-5-propylpyrazole-4-carboxamide Traditional Name: 1-(4-chlorophenyl)-N-(2-methylol-1,3-benzothiazol-5-yl)-5-propyl-pyrazole-4-carboxamide Formula: C21H19ClN4O2S MolecularWeight: 426.91916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN4O2S/c1-2-3-18-16(11-23-26(18)15-7-4-13(22)5-8-15)21(28)24-14-6-9-19-17(10-14)25-20(12-27)29-19/h4-11,27H,2-3,12H2,1H3,(H,24,28)