N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-1,3-benzothiazole-6-carboxamide Openeye Name: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-1,3-benzothiazole-6-carboxamide CAS Name: N-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-1,3-benzothiazole-6-carboxamide Traditional Name: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-1,3-benzothiazole-6-carboxamide Formula: C25H20N4OS MolecularWeight: 424.5175

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)CNC(=O)C4=CC5=C(C=C4)N=CS5

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)CNC(=O)C4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C25H20N4OS/c30-25(20-11-12-22-23(13-20)31-17-27-22)26-14-21-16-29(15-18-7-3-1-4-8-18)28-24(21)19-9-5-2-6-10-19/h1-13,16-17H,14-15H2,(H,26,30)