(E)-3-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3-oxidanyl-1-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: (E)-3-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3-oxidanyl-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-3-hydroxy-3-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-1-(2-thienyl)prop-2-en-1-one CAS Name: (E)-3-hydroxy-3-[3-(methylthio)-1H-1,2,4-triazol-5-yl]-1-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-3-hydroxy-3-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-1-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-3-hydroxy-3-[3-(methylthio)-1H-1,2,4-triazol-5-yl]-1-(2-thienyl)prop-2-en-1-one Formula: C10H9N3O2S2 MolecularWeight: 267.32736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NNC(=N1)C(=CC(=O)C2=CC=CS2)O

Isomeric SMILES

CSC1=NNC(=N1)/C(=C\C(=O)C2=CC=CS2)/O

InChI

InChI=1S/C10H9N3O2S2/c1-16-10-11-9(12-13-10)7(15)5-6(14)8-3-2-4-17-8/h2-5,15H,1H3,(H,11,12,13)/b7-5+