methyl 2-[2-[[5-[(1R)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-[[5-[(1R)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[[5-[(1R)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate CAS Name: 2-[[2-[[5-[(1R)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[[5-[(1R)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate Traditional Name: 2-[[2-[[5-[(1R)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]acetic acid methyl ester Formula: C17H22FN5O3S MolecularWeight: 395.451683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1C2=CC=C(C=C2)F)SCC(=O)NCC(=O)OC)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H22FN5O3S/c1-11(22(2)3)16-20-21-17(23(16)13-7-5-12(18)6-8-13)27-10-14(24)19-9-15(25)26-4/h5-8,11H,9-10H2,1-4H3,(H,19,24)/t11-/m1/s1