3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4,5-dihydro-1,2-oxazole

Systemtic Name: 3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4,5-dihydro-1,2-oxazole Openeye Name: 3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4,5-dihydroisoxazole CAS Name: 3-[[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-4,5-dihydroisoxazole IUPAC Name: 3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4,5-dihydro-1,2-oxazole Traditional Name: 3-[[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-2-isoxazoline Formula: C13H14N4OS MolecularWeight: 274.34146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCC3=NOCC3

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCC3=NOCC3

InChI

InChI=1S/C13H14N4OS/c1-10-14-15-13(19-9-11-7-8-18-16-11)17(10)12-5-3-2-4-6-12/h2-6H,7-9H2,1H3