2-[3-(azepan-1-ylsulfonyl)phenyl]-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazole

Systemtic Name: 2-[3-(azepan-1-ylsulfonyl)phenyl]-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazole Openeye Name: 2-[3-(azepan-1-ylsulfonyl)phenyl]-5-[(E)-cinnamyl]sulfanyl-1,3,4-oxadiazole CAS Name: 2-[3-(1-azepanylsulfonyl)phenyl]-5-[[(E)-3-phenylprop-2-enyl]thio]-1,3,4-oxadiazole IUPAC Name: 2-[3-(azepan-1-ylsulfonyl)phenyl]-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazole Traditional Name: 2-[3-(azepan-1-ylsulfonyl)phenyl]-5-[[(E)-cinnamyl]thio]-1,3,4-oxadiazole Formula: C23H25N3O3S2 MolecularWeight: 455.5929

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SCC=CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O3S2/c27-31(28,26-15-6-1-2-7-16-26)21-14-8-13-20(18-21)22-24-25-23(29-22)30-17-9-12-19-10-4-3-5-11-19/h3-5,8-14,18H,1-2,6-7,15-17H2/b12-9+