N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-3-carboxamide

Systemtic Name: N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-3-carboxamide Openeye Name: N-(4,5-dihydrothiazol-2-yl)-4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-3-carboxamide CAS Name: N-(4,5-dihydrothiazol-2-yl)-4-(3,4-dimethoxyphenyl)-1-phenyl-3-pyrazolecarboxamide IUPAC Name: N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxamide Traditional Name: 4-(3,4-dimethoxyphenyl)-1-phenyl-N-(2-thiazolin-2-yl)pyrazole-3-carboxamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN(N=C2C(=O)NC3=NCCS3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN(N=C2C(=O)NC3=NCCS3)C4=CC=CC=C4)OC

InChI

InChI=1S/C21H20N4O3S/c1-27-17-9-8-14(12-18(17)28-2)16-13-25(15-6-4-3-5-7-15)24-19(16)20(26)23-21-22-10-11-29-21/h3-9,12-13H,10-11H2,1-2H3,(H,22,23,26)