N-[4-(3-fluoranyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-[4-(3-fluoranyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[4-(3-fluoro-4-methoxy-phenyl)thiazol-2-yl]pyrazole-4-carboxamide CAS Name: N-[4-(3-fluoro-4-methoxyphenyl)-2-thiazolyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[4-(3-fluoro-4-methoxy-phenyl)thiazol-2-yl]pyrazole-4-carboxamide Formula: C21H17FN4O2S MolecularWeight: 408.448683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CN(N=C3)CC4=CC=CC=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CN(N=C3)CC4=CC=CC=C4)F

InChI

InChI=1S/C21H17FN4O2S/c1-28-19-8-7-15(9-17(19)22)18-13-29-21(24-18)25-20(27)16-10-23-26(12-16)11-14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3,(H,24,25,27)