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

Systemtic Name: 5-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1,2-oxazole Openeye Name: 5-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-isoxazole CAS Name: 5-[[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-3-methylisoxazole IUPAC Name: 5-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1,2-oxazole Traditional Name: 5-[[[5-(4-ethylphenyl)-1H-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:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC(=NO3)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC(=NO3)C

InChI

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