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

Systemtic Name: 3-butoxy-N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]benzamide Openeye Name: 3-butoxy-N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]benzamide CAS Name: 3-butoxy-N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]benzamide IUPAC Name: 3-butoxy-N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]benzamide Traditional Name: 3-butoxy-N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]benzamide Formula: C24H26N4O2S MolecularWeight: 434.55384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC2=CC(=NN2C3=NC4=C(C=C(C=C4S3)C)C)C

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC2=CC(=NN2C3=NC4=C(C=C(C=C4S3)C)C)C

InChI

InChI=1S/C24H26N4O2S/c1-5-6-10-30-19-9-7-8-18(14-19)23(29)25-21-13-17(4)27-28(21)24-26-22-16(3)11-15(2)12-20(22)31-24/h7-9,11-14H,5-6,10H2,1-4H3,(H,25,29)