N-(1,3-benzothiazol-2-ylmethyl)-3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-3-(4-methoxyphenyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide Formula: C25H20N4O2S MolecularWeight: 440.5169

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)NCC3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)NCC3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C25H20N4O2S/c1-31-19-13-11-17(12-14-19)24-20(16-29(28-24)18-7-3-2-4-8-18)25(30)26-15-23-27-21-9-5-6-10-22(21)32-23/h2-14,16H,15H2,1H3,(H,26,30)