4-[[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole

Systemtic Name: 4-[[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole Openeye Name: 4-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(2-thienyl)oxazole CAS Name: 4-[[[4-(phenylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-2-thiophen-2-yloxazole IUPAC Name: 4-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole Traditional Name: 4-[[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-2-(2-thienyl)oxazole Formula: C22H17N5OS2 MolecularWeight: 431.53328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=COC(=N3)C4=CC=CS4)C5=CN=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=COC(=N3)C4=CC=CS4)C5=CN=CC=C5

InChI

InChI=1S/C22H17N5OS2/c1-2-6-16(7-3-1)13-27-20(17-8-4-10-23-12-17)25-26-22(27)30-15-18-14-28-21(24-18)19-9-5-11-29-19/h1-12,14H,13,15H2