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

Systemtic Name: 5-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]-3-(4-ethylphenyl)-1,2,4-oxadiazole Openeye Name: 5-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanylmethyl]-3-(4-ethylphenyl)-1,2,4-oxadiazole CAS Name: 5-[[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]methyl]-3-(4-ethylphenyl)-1,2,4-oxadiazole IUPAC Name: 5-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]-3-(4-ethylphenyl)-1,2,4-oxadiazole Traditional Name: 5-[[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]methyl]-3-(4-ethylphenyl)-1,2,4-oxadiazole Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H26N4O3S2/c1-2-17-7-9-18(10-8-17)22-24-20(29-25-22)16-30-21-12-11-19(15-23-21)31(27,28)26-13-5-3-4-6-14-26/h7-12,15H,2-6,13-14,16H2,1H3