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

Systemtic Name: N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-(4,5-dihydrothiazol-2-yl)-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxamide CAS Name: N-(4,5-dihydrothiazol-2-yl)-3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxamide Traditional Name: 1-benzyl-3-(3,4-dimethoxyphenyl)-N-(2-thiazolin-2-yl)pyrazole-4-carboxamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NC3=NCCS3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NC3=NCCS3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C22H22N4O3S/c1-28-18-9-8-16(12-19(18)29-2)20-17(21(27)24-22-23-10-11-30-22)14-26(25-20)13-15-6-4-3-5-7-15/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,24,27)