N-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)-1-(phenylmethyl)pyrazole-4-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3=NC4=CC=CC=C4S3)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3=NC4=CC=CC=C4S3)CC5=CC=CC=C5

InChI

InChI=1S/C25H20N4OS/c1-17-11-13-19(14-12-17)23-20(16-29(28-23)15-18-7-3-2-4-8-18)24(30)27-25-26-21-9-5-6-10-22(21)31-25/h2-14,16H,15H2,1H3,(H,26,27,30)