5-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]-3-butyl-1,2,4-oxadiazole

Systemtic Name: 5-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]-3-butyl-1,2,4-oxadiazole Openeye Name: 5-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanylmethyl]-3-butyl-1,2,4-oxadiazole CAS Name: 5-[[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]methyl]-3-butyl-1,2,4-oxadiazole IUPAC Name: 5-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]-3-butyl-1,2,4-oxadiazole Traditional Name: 5-[[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]methyl]-3-butyl-1,2,4-oxadiazole Formula: C18H26N4O3S2 MolecularWeight: 410.55404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NOC(=N1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCCCC1=NOC(=N1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C18H26N4O3S2/c1-2-3-8-16-20-17(25-21-16)14-26-18-10-9-15(13-19-18)27(23,24)22-11-6-4-5-7-12-22/h9-10,13H,2-8,11-12,14H2,1H3