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

Systemtic Name: 3-[4-cyclopropyl-5-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-cyclopropyl-5-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-cyclopropyl-5-[(3-fluoro-4-methoxyphenyl)methylthio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-cyclopropyl-5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-cyclopropyl-5-[(3-fluoro-4-methoxy-benzyl)thio]-1,2,4-triazol-3-yl]propionamide Formula: C16H19FN4O2S MolecularWeight: 350.411063

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3CC3)CCC(=O)N)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3CC3)CCC(=O)N)F

InChI

InChI=1S/C16H19FN4O2S/c1-23-13-5-2-10(8-12(13)17)9-24-16-20-19-15(7-6-14(18)22)21(16)11-3-4-11/h2,5,8,11H,3-4,6-7,9H2,1H3,(H2,18,22)