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

Systemtic Name: 3-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-benzyl-3-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 3-[(2-chloro-4-fluorophenyl)methylthio]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 4-benzyl-3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-benzyl-3-[(2-chloro-4-fluoro-benzyl)thio]-1H-1,2,4-triazol-5-one Formula: C16H13ClFN3OS MolecularWeight: 349.810323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)NN=C2SCC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)NN=C2SCC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C16H13ClFN3OS/c17-14-8-13(18)7-6-12(14)10-23-16-20-19-15(22)21(16)9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,19,22)