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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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