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

Systemtic Name: 1-[2-oxidanyl-3-propyl-4-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanylmethyl]phenyl]ethanone Openeye Name: 1-[2-hydroxy-3-propyl-4-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)sulfanylmethyl]phenyl]ethanone CAS Name: 1-[2-hydroxy-3-propyl-4-[[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thio]methyl]phenyl]ethanone IUPAC Name: 1-[2-hydroxy-3-propyl-4-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanylmethyl]phenyl]ethanone Traditional Name: 1-[2-hydroxy-3-propyl-4-[[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)thio]methyl]phenyl]ethanone Formula: C14H16N2O2S3 MolecularWeight: 340.48404

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)CSC2=NNC(=S)S2

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)CSC2=NNC(=S)S2

InChI

InChI=1S/C14H16N2O2S3/c1-3-4-11-9(5-6-10(8(2)17)12(11)18)7-20-14-16-15-13(19)21-14/h5-6,18H,3-4,7H2,1-2H3,(H,15,19)