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

Systemtic Name: 4-bromanyl-N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]benzamide Openeye Name: 4-bromo-N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]benzamide CAS Name: 4-bromo-N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]benzamide IUPAC Name: 4-bromo-N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]benzamide Traditional Name: 4-bromo-N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]benzamide Formula: C20H17BrN4OS MolecularWeight: 441.34418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3C(=CC(=N3)C)NC(=O)C4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3C(=CC(=N3)C)NC(=O)C4=CC=C(C=C4)Br)C

InChI

InChI=1S/C20H17BrN4OS/c1-11-8-12(2)18-16(9-11)27-20(23-18)25-17(10-13(3)24-25)22-19(26)14-4-6-15(21)7-5-14/h4-10H,1-3H3,(H,22,26)