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

Systemtic Name: 5-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(4-methoxyphenyl)-1,2-oxazole Openeye Name: 5-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(4-methoxyphenyl)isoxazole CAS Name: 5-[[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]methyl]-3-(4-methoxyphenyl)isoxazole IUPAC Name: 5-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(4-methoxyphenyl)-1,2-oxazole Traditional Name: 5-[[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]methyl]-3-(4-methoxyphenyl)isoxazole Formula: C15H16N4O2S MolecularWeight: 316.37814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SCC2=CC(=NO2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCC1=NC(=NN1)SCC2=CC(=NO2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C15H16N4O2S/c1-3-14-16-15(18-17-14)22-9-12-8-13(19-21-12)10-4-6-11(20-2)7-5-10/h4-8H,3,9H2,1-2H3,(H,16,17,18)