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

Systemtic Name: 3-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-1,2-oxazole Openeye Name: 3-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-isoxazole CAS Name: 3-[[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]methyl]-5-methylisoxazole IUPAC Name: 3-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-1,2-oxazole Traditional Name: 3-[[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]methyl]-5-methyl-isoxazole Formula: C22H22N4O2S MolecularWeight: 406.50068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=CC=C4OC

Isomeric SMILES

CC1=CC(=NO1)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=CC=C4OC

InChI

InChI=1S/C22H22N4O2S/c1-16-14-18(25-28-16)15-29-22-24-23-21(19-10-6-7-11-20(19)27-2)26(22)13-12-17-8-4-3-5-9-17/h3-11,14H,12-13,15H2,1-2H3