S-[[1-(2H-1,2,3,4-tetrazol-5-yl)ethyl-[3,3,3-tris(fluoranyl)-2-(1H-indol-3-yl)propanoyl]amino]methyl] ethanethioate

Systemtic Name: S-[[1-(2H-1,2,3,4-tetrazol-5-yl)ethyl-[3,3,3-tris(fluoranyl)-2-(1H-indol-3-yl)propanoyl]amino]methyl] ethanethioate Openeye Name: S-[[1-(2H-tetrazol-5-yl)ethyl-[3,3,3-trifluoro-2-(1H-indol-3-yl)propanoyl]amino]methyl] ethanethioate CAS Name: ethanethioic acid S-[[1-(2H-tetrazol-5-yl)ethyl-[3,3,3-trifluoro-2-(1H-indol-3-yl)-1-oxopropyl]amino]methyl] ester IUPAC Name: S-[[1-(2H-tetrazol-5-yl)ethyl-[3,3,3-trifluoro-2-(1H-indol-3-yl)propanoyl]amino]methyl] ethanethioate Traditional Name: ethanethioic acid S-[[1-(2H-tetrazol-5-yl)ethyl-[3,3,3-trifluoro-2-(1H-indol-3-yl)propanoyl]amino]methyl] ester Formula: C17H17F3N6O2S MolecularWeight: 426.41609

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NNN=N1)N(CSC(=O)C)C(=O)C(C2=CNC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CC(C1=NNN=N1)N(CSC(=O)C)C(=O)C(C2=CNC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C17H17F3N6O2S/c1-9(15-22-24-25-23-15)26(8-29-10(2)27)16(28)14(17(18,19)20)12-7-21-13-6-4-3-5-11(12)13/h3-7,9,14,21H,8H2,1-2H3,(H,22,23,24,25)