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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)NC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)F)[C@H](C)N(C)C

InChI

InChI=1S/C18H26FN5OS/c1-6-12(2)20-16(25)11-26-18-22-21-17(13(3)23(4)5)24(18)15-9-7-14(19)8-10-15/h7-10,12-13H,6,11H2,1-5H3,(H,20,25)/t12-,13-/m0/s1