N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]thiazole-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-4-thiazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-piperonyl-thiazole-4-carboxamide Formula: C22H17FN4O3S MolecularWeight: 436.458783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C2=CC=C(C=C2)F)C3=NC(=CS3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C(=NN1)C2=CC=C(C=C2)F)C3=NC(=CS3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H17FN4O3S/c1-12-19(20(27-26-12)14-3-5-15(23)6-4-14)22-25-16(10-31-22)21(28)24-9-13-2-7-17-18(8-13)30-11-29-17/h2-8,10H,9,11H2,1H3,(H,24,28)(H,26,27)