2-[4-chloranyl-5-(1,3-dithian-2-yl)-2-fluoranyl-phenyl]-5-methyl-1H-1,2,4-triazol-3-one

Systemtic Name: 2-[4-chloranyl-5-(1,3-dithian-2-yl)-2-fluoranyl-phenyl]-5-methyl-1H-1,2,4-triazol-3-one Openeye Name: 2-[4-chloro-5-(1,3-dithian-2-yl)-2-fluoro-phenyl]-5-methyl-1H-1,2,4-triazol-3-one CAS Name: 2-[4-chloro-5-(1,3-dithian-2-yl)-2-fluorophenyl]-5-methyl-1H-1,2,4-triazol-3-one IUPAC Name: 2-[4-chloro-5-(1,3-dithian-2-yl)-2-fluorophenyl]-5-methyl-1H-1,2,4-triazol-3-one Traditional Name: 2-[4-chloro-5-(1,3-dithian-2-yl)-2-fluoro-phenyl]-5-methyl-1H-1,2,4-triazol-3-one Formula: C13H13ClFN3OS2 MolecularWeight: 345.843223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)N(N1)C2=C(C=C(C(=C2)C3SCCCS3)Cl)F

Isomeric SMILES

CC1=NC(=O)N(N1)C2=C(C=C(C(=C2)C3SCCCS3)Cl)F

InChI

InChI=1S/C13H13ClFN3OS2/c1-7-16-13(19)18(17-7)11-5-8(9(14)6-10(11)15)12-20-3-2-4-21-12/h5-6,12H,2-4H2,1H3,(H,16,17,19)