3-methyl-4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-4H-1,2-oxazol-5-one

Systemtic Name: 3-methyl-4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-4H-1,2-oxazol-5-one Openeye Name: 3-methyl-4-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-4H-isoxazol-5-one CAS Name: 3-methyl-4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]-4H-isoxazol-5-one IUPAC Name: 3-methyl-4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-4H-1,2-oxazol-5-one Traditional Name: 3-methyl-4-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]-2-isoxazolin-5-one Formula: C13H12N4O2S MolecularWeight: 288.32498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SC3C(=NOC3=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SC3C(=NOC3=O)C

InChI

InChI=1S/C13H12N4O2S/c1-7-3-5-9(6-4-7)11-14-13(16-15-11)20-10-8(2)17-19-12(10)18/h3-6,10H,1-2H3,(H,14,15,16)