3-[3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[(3-fluoro-4-methoxyphenyl)methylthio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[(3-fluoro-4-methoxy-benzyl)thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]propionamide Formula: C17H17FN4O2S2 MolecularWeight: 392.470883

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(N2CCC(=O)N)C3=CC=CS3)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(N2CCC(=O)N)C3=CC=CS3)F

InChI

InChI=1S/C17H17FN4O2S2/c1-24-13-5-4-11(9-12(13)18)10-26-17-21-20-16(14-3-2-8-25-14)22(17)7-6-15(19)23/h2-5,8-9H,6-7,10H2,1H3,(H2,19,23)