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

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxamide Formula: C26H22N4O3S MolecularWeight: 470.54288

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H22N4O3S/c1-32-18-12-13-19(22(14-18)33-2)25-20(16-30(29-25)17-8-4-3-5-9-17)26(31)27-15-24-28-21-10-6-7-11-23(21)34-24/h3-14,16H,15H2,1-2H3,(H,27,31)