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

Systemtic Name: 2-[[5-[(1S)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(propylcarbamoyl)ethanamide Openeye Name: 2-[[5-[(1S)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(propylcarbamoyl)acetamide CAS Name: 2-[[5-[(1S)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-[oxo(propylamino)methyl]acetamide IUPAC Name: 2-[[5-[(1S)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(propylcarbamoyl)acetamide Traditional Name: 2-[[5-[(1S)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-(propylcarbamoyl)acetamide Formula: C18H25FN6O2S MolecularWeight: 408.493503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25FN6O2S/c1-5-10-20-17(27)21-15(26)11-28-18-23-22-16(12(2)24(3)4)25(18)14-8-6-13(19)7-9-14/h6-9,12H,5,10-11H2,1-4H3,(H2,20,21,26,27)/t12-/m0/s1