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

Systemtic Name: 2-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole CAS Name: 2-[[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]methyl]-5-methyl-1,3,4-oxadiazole IUPAC Name: 2-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole Traditional Name: 2-[[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]methyl]-5-methyl-1,3,4-oxadiazole Formula: C15H20N4O3S2 MolecularWeight: 368.4743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(O1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=NN=C(O1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C15H20N4O3S2/c1-12-17-18-14(22-12)11-23-15-7-6-13(10-16-15)24(20,21)19-8-4-2-3-5-9-19/h6-7,10H,2-5,8-9,11H2,1H3