N-[2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-pyrazol-3-yl]-2-fluoranyl-benzamide

Systemtic Name: N-[2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-pyrazol-3-yl]-2-fluoranyl-benzamide Openeye Name: N-[2-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-5-methyl-pyrazol-3-yl]-2-fluoro-benzamide CAS Name: N-[2-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]-5-methyl-3-pyrazolyl]-2-fluorobenzamide IUPAC Name: N-[2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide Traditional Name: N-[2-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-5-methyl-pyrazol-3-yl]-2-fluoro-benzamide Formula: C22H19FN4O3S MolecularWeight: 438.474663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2=CC=CC=C2F)C3=NC(=CS3)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2=CC=CC=C2F)C3=NC(=CS3)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C22H19FN4O3S/c1-13-10-20(25-21(28)15-6-4-5-7-16(15)23)27(26-13)22-24-17(12-31-22)14-8-9-18(29-2)19(11-14)30-3/h4-12H,1-3H3,(H,25,28)