1-[[8-chloranyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanylmethyl]benzo[f]chromen-3-one

Systemtic Name: 1-[[8-chloranyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanylmethyl]benzo[f]chromen-3-one Openeye Name: 1-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanylmethyl]benzo[f]chromen-3-one CAS Name: 1-[[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]thio]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanylmethyl]benzo[f]chromen-3-one Traditional Name: 1-[[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]thio]methyl]benzo[f]chromen-3-one Formula: C21H11ClF3N3O2S MolecularWeight: 461.84415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)CSC4=NN=C5N4C=C(C=C5Cl)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)CSC4=NN=C5N4C=C(C=C5Cl)C(F)(F)F

InChI

InChI=1S/C21H11ClF3N3O2S/c22-15-8-13(21(23,24)25)9-28-19(15)26-27-20(28)31-10-12-7-17(29)30-16-6-5-11-3-1-2-4-14(11)18(12)16/h1-9H,10H2