2-[[5-[(1S)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)ethanamide

Systemtic Name: 2-[[5-[(1S)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)ethanamide Openeye Name: 2-[[5-[(1S)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-isobutyl-acetamide CAS Name: 2-[[5-[(1S)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-methylpropyl)acetamide IUPAC Name: 2-[[5-[(1S)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)acetamide Traditional Name: 2-[[5-[(1S)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-isobutyl-acetamide Formula: C18H26FN5OS MolecularWeight: 379.495343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)F)C(C)N(C)C

Isomeric SMILES

C[C@@H](C1=NN=C(N1C2=CC=C(C=C2)F)SCC(=O)NCC(C)C)N(C)C

InChI

InChI=1S/C18H26FN5OS/c1-12(2)10-20-16(25)11-26-18-22-21-17(13(3)23(4)5)24(18)15-8-6-14(19)7-9-15/h6-9,12-13H,10-11H2,1-5H3,(H,20,25)/t13-/m0/s1