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

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazole Openeye Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[(E)-cinnamyl]sulfanyl-1,3,4-oxadiazole CAS Name: 2-[4-(1-azepanylsulfonyl)phenyl]-5-[[(E)-3-phenylprop-2-enyl]thio]-1,3,4-oxadiazole IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazole Traditional Name: 2-[4-(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=C(C=C2)C3=NN=C(O3)SCC=CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O3S2/c27-31(28,26-16-6-1-2-7-17-26)21-14-12-20(13-15-21)22-24-25-23(29-22)30-18-8-11-19-9-4-3-5-10-19/h3-5,8-15H,1-2,6-7,16-18H2/b11-8+