methyl 2-[[4-(phenylmethyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl-[2,2,2-tris(fluoranyl)ethyl]amino]ethanoate

Systemtic Name: methyl 2-[[4-(phenylmethyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl-[2,2,2-tris(fluoranyl)ethyl]amino]ethanoate Openeye Name: methyl 2-[[4-benzyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-(2,2,2-trifluoroethyl)amino]acetate CAS Name: 2-[[4-(phenylmethyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl-(2,2,2-trifluoroethyl)amino]acetic acid methyl ester IUPAC Name: methyl 2-[(4-benzyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl-(2,2,2-trifluoroethyl)amino]acetate Traditional Name: 2-[[4-benzyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-(2,2,2-trifluoroethyl)amino]acetic acid methyl ester Formula: C19H19F3N4O2S2 MolecularWeight: 456.50497

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN(CC(F)(F)F)CN1C(=S)N(C(=N1)C2=CC=CS2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CN(CC(F)(F)F)CN1C(=S)N(C(=N1)C2=CC=CS2)CC3=CC=CC=C3

InChI

InChI=1S/C19H19F3N4O2S2/c1-28-16(27)11-24(12-19(20,21)22)13-26-18(29)25(10-14-6-3-2-4-7-14)17(23-26)15-8-5-9-30-15/h2-9H,10-13H2,1H3