N-(6-methyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-phenyl-3-(p-tolyl)pyrazole-4-carboxamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-phenyl-3-(p-tolyl)pyrazole-4-carboxamide Formula: C25H20N4OS MolecularWeight: 424.5175

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3=NC4=C(S3)C=C(C=C4)C)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3=NC4=C(S3)C=C(C=C4)C)C5=CC=CC=C5

InChI

InChI=1S/C25H20N4OS/c1-16-8-11-18(12-9-16)23-20(15-29(28-23)19-6-4-3-5-7-19)24(30)27-25-26-21-13-10-17(2)14-22(21)31-25/h3-15H,1-2H3,(H,26,27,30)