2-(2-chloranylfuran-3-yl)-3-oxidanyl-3-(1H-1,2,4-triazol-5-yl)prop-1-en-1-one; 7$l^{6}-thiabicyclo[2.2.1]hepta-1,3,5-triene 7,7-dioxide

Systemtic Name: 2-(2-chloranylfuran-3-yl)-3-oxidanyl-3-(1H-1,2,4-triazol-5-yl)prop-1-en-1-one; 7$l^{6}-thiabicyclo[2.2.1]hepta-1,3,5-triene 7,7-dioxide Openeye Name: 2-(2-chloro-3-furyl)-3-hydroxy-3-(1H-1,2,4-triazol-5-yl)prop-1-en-1-one; 7$l^{6}-thiabicyclo[2.2.1]hepta-1,3,5-triene 7,7-dioxide CAS Name: 2-(2-chloro-3-furanyl)-3-hydroxy-3-(1H-1,2,4-triazol-5-yl)-1-propen-1-one; 7$l^{6}-thiabicyclo[2.2.1]hepta-1,3,5-triene 7,7-dioxide IUPAC Name: 2-(2-chlorofuran-3-yl)-3-hydroxy-3-(1H-1,2,4-triazol-5-yl)prop-1-en-1-one; 7$l^{6}-thiabicyclo[2.2.1]hepta-1,3,5-triene 7,7-dioxide Traditional Name: 2-(2-chloro-3-furyl)-3-hydroxy-3-(1H-1,2,4-triazol-5-yl)prop-1-en-1-one; 7$l^{6}-thiabicyclo[2.2.1]hepta-1,3,5-triene 7,7-dioxide Formula: C15H10ClN3O5S MolecularWeight: 379.775

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC=C1S2(=O)=O.C1=COC(=C1C(=C=O)C(C2=NC=NN2)O)Cl

Isomeric SMILES

C1=CC2=CC=C1S2(=O)=O.C1=COC(=C1C(=C=O)C(C2=NC=NN2)O)Cl

InChI

InChI=1S/C9H6ClN3O3.C6H4O2S/c10-8-5(1-2-16-8)6(3-14)7(15)9-11-4-12-13-9;7-9(8)5-1-2-6(9)4-3-5/h1-2,4,7,15H,(H,11,12,13);1-4H