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

Systemtic Name: 5-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1,2-oxazole Openeye Name: 5-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-isoxazole CAS Name: 5-[[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-3-methylisoxazole IUPAC Name: 5-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1,2-oxazole Traditional Name: 5-[[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-3-methyl-isoxazole Formula: C15H16N4OS MolecularWeight: 300.37874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=NN=C2SCC3=CC(=NO3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=NN=C2SCC3=CC(=NO3)C)C

InChI

InChI=1S/C15H16N4OS/c1-10-4-5-14(11(2)6-10)19-9-16-17-15(19)21-8-13-7-12(3)18-20-13/h4-7,9H,8H2,1-3H3