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

Systemtic Name: 5-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole Openeye Name: 5-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole CAS Name: 5-[[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]methyl]-3-phenyl-1,2,4-oxadiazole IUPAC Name: 5-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole Traditional Name: 5-[[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]methyl]-3-phenyl-1,2,4-oxadiazole Formula: C20H22N4O3S2 MolecularWeight: 430.54368

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=NC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C20H22N4O3S2/c25-29(26,24-12-6-1-2-7-13-24)17-10-11-19(21-14-17)28-15-18-22-20(23-27-18)16-8-4-3-5-9-16/h3-5,8-11,14H,1-2,6-7,12-13,15H2