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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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