N-(2-cyanoethyl)-2-[[5-[(1R)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[[5-[(1R)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[[5-[(1R)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[[5-[(1R)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-methylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[[5-[(1R)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide Traditional Name: N-(2-cyanoethyl)-2-[[5-[(1R)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-methyl-acetamide Formula: C18H23FN6OS MolecularWeight: 390.478223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1C2=CC=C(C=C2)F)SCC(=O)N(C)CCC#N)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H23FN6OS/c1-13(23(2)3)17-21-22-18(25(17)15-8-6-14(19)7-9-15)27-12-16(26)24(4)11-5-10-20/h6-9,13H,5,11-12H2,1-4H3/t13-/m1/s1