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

Systemtic Name: 1-[4-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-oxidanyl-3-propyl-phenyl]ethanone Openeye Name: 1-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-hydroxy-3-propyl-phenyl]ethanone CAS Name: 1-[4-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-2-hydroxy-3-propylphenyl]ethanone IUPAC Name: 1-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-hydroxy-3-propylphenyl]ethanone Traditional Name: 1-[4-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-2-hydroxy-3-propyl-phenyl]ethanone Formula: C14H17N3O2S2 MolecularWeight: 323.43368

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)CSC2=NN=C(S2)N

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)CSC2=NN=C(S2)N

InChI

InChI=1S/C14H17N3O2S2/c1-3-4-11-9(5-6-10(8(2)18)12(11)19)7-20-14-17-16-13(15)21-14/h5-6,19H,3-4,7H2,1-2H3,(H2,15,16)