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

Systemtic Name: 3-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(2-chloro-4-fluorophenyl)methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(2-chloro-4-fluoro-benzyl)thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C17H15ClFN3OS MolecularWeight: 363.836903

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C17H15ClFN3OS/c18-15-10-14(19)7-6-13(15)11-24-17-21-20-16(23)22(17)9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,20,23)