N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-pentoxy-benzamide

Systemtic Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-pentoxy-benzamide Openeye Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-pentoxy-benzamide CAS Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]-4-pentoxybenzamide IUPAC Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-pentoxybenzamide Traditional Name: 4-amoxy-N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]benzamide Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC2=CC(=NN2C3=NC4=C(C=C(C=C4S3)C)C)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC2=CC(=NN2C3=NC4=C(C=C(C=C4S3)C)C)C

InChI

InChI=1S/C25H28N4O2S/c1-5-6-7-12-31-20-10-8-19(9-11-20)24(30)26-22-15-18(4)28-29(22)25-27-23-17(3)13-16(2)14-21(23)32-25/h8-11,13-15H,5-7,12H2,1-4H3,(H,26,30)