N-[4-[3-(cyanomethyl)-4-methoxy-phenyl]-1,3-thiazol-2-yl]-3-fluoranyl-benzamide

Systemtic Name: N-[4-[3-(cyanomethyl)-4-methoxy-phenyl]-1,3-thiazol-2-yl]-3-fluoranyl-benzamide Openeye Name: N-[4-[3-(cyanomethyl)-4-methoxy-phenyl]thiazol-2-yl]-3-fluoro-benzamide CAS Name: N-[4-[3-(cyanomethyl)-4-methoxyphenyl]-2-thiazolyl]-3-fluorobenzamide IUPAC Name: N-[4-[3-(cyanomethyl)-4-methoxyphenyl]-1,3-thiazol-2-yl]-3-fluorobenzamide Traditional Name: N-[4-[3-(cyanomethyl)-4-methoxy-phenyl]thiazol-2-yl]-3-fluoro-benzamide Formula: C19H14FN3O2S MolecularWeight: 367.396763

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=CC=C3)F)CC#N

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=CC=C3)F)CC#N

InChI

InChI=1S/C19H14FN3O2S/c1-25-17-6-5-12(9-13(17)7-8-21)16-11-26-19(22-16)23-18(24)14-3-2-4-15(20)10-14/h2-6,9-11H,7H2,1H3,(H,22,23,24)