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

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(phenylmethylsulfanyl)-1,3,4-oxadiazole Openeye Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-benzylsulfanyl-1,3,4-oxadiazole CAS Name: 2-[4-(1-azepanylsulfonyl)phenyl]-5-(phenylmethylthio)-1,3,4-oxadiazole IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-benzylsulfanyl-1,3,4-oxadiazole Traditional Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(benzylthio)-1,3,4-oxadiazole Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NN=C(O3)SCC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NN=C(O3)SCC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O3S2/c25-29(26,24-14-6-1-2-7-15-24)19-12-10-18(11-13-19)20-22-23-21(27-20)28-16-17-8-4-3-5-9-17/h3-5,8-13H,1-2,6-7,14-16H2