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

Systemtic Name: 3-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[[5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[5-(4-fluorophenyl)-4-methyl-3-isoxazolyl]methylthio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methylthio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C16H17FN4O2S MolecularWeight: 348.395183

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=NOC(=C2C)C3=CC=C(C=C3)F

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=NOC(=C2C)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H17FN4O2S/c1-3-8-21-15(22)18-19-16(21)24-9-13-10(2)14(23-20-13)11-4-6-12(17)7-5-11/h4-7H,3,8-9H2,1-2H3,(H,18,22)