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

Systemtic Name: 4-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole Openeye Name: 4-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(2-thienyl)oxazole CAS Name: 4-[[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]methyl]-2-thiophen-2-yloxazole IUPAC Name: 4-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole Traditional Name: 4-[[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]methyl]-2-(2-thienyl)oxazole Formula: C21H21N5OS2 MolecularWeight: 423.55434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC4=COC(=N4)C5=CC=CS5

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC4=COC(=N4)C5=CC=CS5

InChI

InChI=1S/C21H21N5OS2/c1-3-8-17(9-4-1)26-20(25-11-5-2-6-12-25)23-24-21(26)29-15-16-14-27-19(22-16)18-10-7-13-28-18/h1,3-4,7-10,13-14H,2,5-6,11-12,15H2