3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(2-chloro-6-fluorophenyl)methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(2-chloro-6-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=CC=C3Cl)F

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC3=C(C=CC=C3Cl)F

InChI

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