3,3,3-tris(fluoranyl)-2-(1H-indol-3-yl)-2-(sulfanylmethyl)-N-[1-(2H-1,2,3,4-tetrazol-5-yl)ethyl]propanamide

Systemtic Name: 3,3,3-tris(fluoranyl)-2-(1H-indol-3-yl)-2-(sulfanylmethyl)-N-[1-(2H-1,2,3,4-tetrazol-5-yl)ethyl]propanamide Openeye Name: 3,3,3-trifluoro-2-(1H-indol-3-yl)-2-(sulfanylmethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide CAS Name: 3,3,3-trifluoro-2-(1H-indol-3-yl)-2-(mercaptomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide IUPAC Name: 3,3,3-trifluoro-2-(1H-indol-3-yl)-2-(sulfanylmethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide Traditional Name: 3,3,3-trifluoro-2-(1H-indol-3-yl)-2-(mercaptomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]propionamide Formula: C15H15F3N6OS MolecularWeight: 384.37941

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NNN=N1)NC(=O)C(CS)(C2=CNC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CC(C1=NNN=N1)NC(=O)C(CS)(C2=CNC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C15H15F3N6OS/c1-8(12-21-23-24-22-12)20-13(25)14(7-26,15(16,17)18)10-6-19-11-5-3-2-4-9(10)11/h2-6,8,19,26H,7H2,1H3,(H,20,25)(H,21,22,23,24)