3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-benzyl-3-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 3-[(3-fluoro-4-methoxyphenyl)methylthio]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 4-benzyl-3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-benzyl-3-[(3-fluoro-4-methoxy-benzyl)thio]-1H-1,2,4-triazol-5-one Formula: C17H16FN3O2S MolecularWeight: 345.391243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NNC(=O)N2CC3=CC=CC=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NNC(=O)N2CC3=CC=CC=C3)F

InChI

InChI=1S/C17H16FN3O2S/c1-23-15-8-7-13(9-14(15)18)11-24-17-20-19-16(22)21(17)10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,19,22)