N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide Openeye Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide CAS Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylthio)acetamide IUPAC Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide Traditional Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylthio)acetamide Formula: C13H12FN5OS MolecularWeight: 305.330683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N(CCC#N)C(=O)CSC2=NC=NN2)F

Isomeric SMILES

C1=CC=C(C(=C1)N(CCC#N)C(=O)CSC2=NC=NN2)F

InChI

InChI=1S/C13H12FN5OS/c14-10-4-1-2-5-11(10)19(7-3-6-15)12(20)8-21-13-16-9-17-18-13/h1-2,4-5,9H,3,7-8H2,(H,16,17,18)