3-(3-ethanoylsulfanylpropanoyl)-5-naphthalen-2-yl-2H-1,3,4-thiadiazole-2-carboxylic acid

Systemtic Name: 3-(3-ethanoylsulfanylpropanoyl)-5-naphthalen-2-yl-2H-1,3,4-thiadiazole-2-carboxylic acid Openeye Name: 3-(3-acetylsulfanylpropanoyl)-5-(2-naphthyl)-2H-1,3,4-thiadiazole-2-carboxylic acid CAS Name: 3-[3-(acetylthio)-1-oxopropyl]-5-(2-naphthalenyl)-2H-1,3,4-thiadiazole-2-carboxylic acid IUPAC Name: 3-(3-acetylsulfanylpropanoyl)-5-naphthalen-2-yl-2H-1,3,4-thiadiazole-2-carboxylic acid Traditional Name: 3-[3-(acetylthio)propanoyl]-5-(2-naphthyl)-2H-1,3,4-thiadiazole-2-carboxylic acid Formula: C18H16N2O4S2 MolecularWeight: 388.46064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(=O)N1C(SC(=N1)C2=CC3=CC=CC=C3C=C2)C(=O)O

Isomeric SMILES

CC(=O)SCCC(=O)N1C(SC(=N1)C2=CC3=CC=CC=C3C=C2)C(=O)O

InChI

InChI=1S/C18H16N2O4S2/c1-11(21)25-9-8-15(22)20-17(18(23)24)26-16(19-20)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10,17H,8-9H2,1H3,(H,23,24)