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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3-(2,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-3-(2,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-3-(2,4-dimethoxyphenyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-3-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-3-(2,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxamide Formula: C25H20N4O3S MolecularWeight: 456.5163

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NN(C=C2C(=O)NC3=NC4=CC=CC=C4S3)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NN(C=C2C(=O)NC3=NC4=CC=CC=C4S3)C5=CC=CC=C5)OC

InChI

InChI=1S/C25H20N4O3S/c1-31-17-12-13-18(21(14-17)32-2)23-19(15-29(28-23)16-8-4-3-5-9-16)24(30)27-25-26-20-10-6-7-11-22(20)33-25/h3-15H,1-2H3,(H,26,27,30)