4-(3-fluorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 4-(3-fluorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-(3-fluorophenyl)-3-[(2-methylthiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-(3-fluorophenyl)-3-[(2-methyl-4-thiazolyl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-(3-fluorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-(3-fluorophenyl)-3-[(2-methylthiazol-4-yl)methylthio]-1H-1,2,4-triazol-5-one Formula: C13H11FN4OS2 MolecularWeight: 322.381043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSC2=NNC(=O)N2C3=CC(=CC=C3)F

Isomeric SMILES

CC1=NC(=CS1)CSC2=NNC(=O)N2C3=CC(=CC=C3)F

InChI

InChI=1S/C13H11FN4OS2/c1-8-15-10(6-20-8)7-21-13-17-16-12(19)18(13)11-4-2-3-9(14)5-11/h2-6H,7H2,1H3,(H,16,19)