2-[(4-chloranylphenoxy)methyl]-4-methyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]-1,3-thiazole-5-carboxamide

Systemtic Name: 2-[(4-chloranylphenoxy)methyl]-4-methyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]-1,3-thiazole-5-carboxamide Openeye Name: 2-[(4-chlorophenoxy)methyl]-4-methyl-N-[3-[2-(2-pyridyl)ethynyl]phenyl]thiazole-5-carboxamide CAS Name: 2-[(4-chlorophenoxy)methyl]-4-methyl-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]-5-thiazolecarboxamide IUPAC Name: 2-[(4-chlorophenoxy)methyl]-4-methyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]-1,3-thiazole-5-carboxamide Traditional Name: 2-[(4-chlorophenoxy)methyl]-4-methyl-N-[3-[2-(2-pyridyl)ethynyl]phenyl]thiazole-5-carboxamide Formula: C25H18ClN3O2S MolecularWeight: 459.94732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)COC2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4

Isomeric SMILES

CC1=C(SC(=N1)COC2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4

InChI

InChI=1S/C25H18ClN3O2S/c1-17-24(32-23(28-17)16-31-22-12-9-19(26)10-13-22)25(30)29-21-7-4-5-18(15-21)8-11-20-6-2-3-14-27-20/h2-7,9-10,12-15H,16H2,1H3,(H,29,30)