1-[4-[4-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]butoxy]-3-propyl-phenyl]-2-oxidanyl-ethanone

Systemtic Name: 1-[4-[4-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]butoxy]-3-propyl-phenyl]-2-oxidanyl-ethanone Openeye Name: 1-[4-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]butoxy]-3-propyl-phenyl]-2-hydroxy-ethanone CAS Name: 1-[4-[4-[(5-amino-1,3,4-thiadiazol-2-yl)thio]butoxy]-3-propylphenyl]-2-hydroxyethanone IUPAC Name: 1-[4-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]butoxy]-3-propylphenyl]-2-hydroxyethanone Traditional Name: 1-[4-[4-[(5-amino-1,3,4-thiadiazol-2-yl)thio]butoxy]-3-propyl-phenyl]-2-hydroxy-ethanone Formula: C17H23N3O3S2 MolecularWeight: 381.51282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)CO)OCCCCSC2=NN=C(S2)N

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)CO)OCCCCSC2=NN=C(S2)N

InChI

InChI=1S/C17H23N3O3S2/c1-2-5-13-10-12(14(22)11-21)6-7-15(13)23-8-3-4-9-24-17-20-19-16(18)25-17/h6-7,10,21H,2-5,8-9,11H2,1H3,(H2,18,19)