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

Systemtic Name: 2-(2,4-dimethylphenyl)-4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-oxazole Openeye Name: 2-(2,4-dimethylphenyl)-4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]oxazole CAS Name: 2-(2,4-dimethylphenyl)-4-[[(5-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]oxazole IUPAC Name: 2-(2,4-dimethylphenyl)-4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-oxazole Traditional Name: 2-(2,4-dimethylphenyl)-4-[[(5-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]oxazole Formula: C17H20N4OS MolecularWeight: 328.4319

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC2=COC(=N2)C3=C(C=C(C=C3)C)C

Isomeric SMILES

CCCC1=NC(=NN1)SCC2=COC(=N2)C3=C(C=C(C=C3)C)C

InChI

InChI=1S/C17H20N4OS/c1-4-5-15-19-17(21-20-15)23-10-13-9-22-16(18-13)14-7-6-11(2)8-12(14)3/h6-9H,4-5,10H2,1-3H3,(H,19,20,21)