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

Systemtic Name: 3-methyl-5-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole Openeye Name: 3-methyl-5-[[4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoxazole CAS Name: 3-methyl-5-[[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]isoxazole IUPAC Name: 3-methyl-5-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole Traditional Name: 3-methyl-5-[[[4-(o-tolyl)-1,2,4-triazol-3-yl]thio]methyl]isoxazole Formula: C14H14N4OS MolecularWeight: 286.35216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=NN=C2SCC3=CC(=NO3)C

Isomeric SMILES

CC1=CC=CC=C1N2C=NN=C2SCC3=CC(=NO3)C

InChI

InChI=1S/C14H14N4OS/c1-10-5-3-4-6-13(10)18-9-15-16-14(18)20-8-12-7-11(2)17-19-12/h3-7,9H,8H2,1-2H3