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

Systemtic Name: 3-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[[5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[5-(4-fluorophenyl)-4-methyl-3-isoxazolyl]methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C21H19FN4O2S MolecularWeight: 410.464563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(ON=C1CSC2=NNC(=O)N2CCC3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(ON=C1CSC2=NNC(=O)N2CCC3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H19FN4O2S/c1-14-18(25-28-19(14)16-7-9-17(22)10-8-16)13-29-21-24-23-20(27)26(21)12-11-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,23,27)