2-[4-(azepan-1-ylsulfonyl)phenyl]-5-phenethylsulfanyl-1,3,4-oxadiazole

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-phenethylsulfanyl-1,3,4-oxadiazole Openeye Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-phenethylsulfanyl-1,3,4-oxadiazole CAS Name: 2-[4-(1-azepanylsulfonyl)phenyl]-5-(phenethylthio)-1,3,4-oxadiazole IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-phenethylsulfanyl-1,3,4-oxadiazole Traditional Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(phenethylthio)-1,3,4-oxadiazole Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NN=C(O3)SCCC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NN=C(O3)SCCC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O3S2/c26-30(27,25-15-6-1-2-7-16-25)20-12-10-19(11-13-20)21-23-24-22(28-21)29-17-14-18-8-4-3-5-9-18/h3-5,8-13H,1-2,6-7,14-17H2