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

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-prop-2-enylsulfanyl-1,3,4-oxadiazole Openeye Name: 2-allylsulfanyl-5-[4-(azepan-1-ylsulfonyl)phenyl]-1,3,4-oxadiazole CAS Name: 2-[4-(1-azepanylsulfonyl)phenyl]-5-(prop-2-enylthio)-1,3,4-oxadiazole IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-prop-2-enylsulfanyl-1,3,4-oxadiazole Traditional Name: 2-(allylthio)-5-[4-(azepan-1-ylsulfonyl)phenyl]-1,3,4-oxadiazole Formula: C17H21N3O3S2 MolecularWeight: 379.49694

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(O1)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

C=CCSC1=NN=C(O1)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C17H21N3O3S2/c1-2-13-24-17-19-18-16(23-17)14-7-9-15(10-8-14)25(21,22)20-11-5-3-4-6-12-20/h2,7-10H,1,3-6,11-13H2