5-tert-butyl-3-[[5-[4-(phenylmethyl)piperazin-1-yl]sulfonylpyridin-2-yl]sulfanylmethyl]-1,2,4-oxadiazole

Systemtic Name: 5-tert-butyl-3-[[5-[4-(phenylmethyl)piperazin-1-yl]sulfonylpyridin-2-yl]sulfanylmethyl]-1,2,4-oxadiazole Openeye Name: 3-[[5-(4-benzylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanylmethyl]-5-tert-butyl-1,2,4-oxadiazole CAS Name: 5-tert-butyl-3-[[[5-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]-2-pyridinyl]thio]methyl]-1,2,4-oxadiazole IUPAC Name: 3-[[5-(4-benzylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]-5-tert-butyl-1,2,4-oxadiazole Traditional Name: 3-[[[5-(4-benzylpiperazino)sulfonyl-2-pyridyl]thio]methyl]-5-tert-butyl-1,2,4-oxadiazole Formula: C23H29N5O3S2 MolecularWeight: 487.63806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NO1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NC(=NO1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H29N5O3S2/c1-23(2,3)22-25-20(26-31-22)17-32-21-10-9-19(15-24-21)33(29,30)28-13-11-27(12-14-28)16-18-7-5-4-6-8-18/h4-10,15H,11-14,16-17H2,1-3H3