2-azanyl-3-[(2-phenylmethoxyphenyl)amino]propane-1-thiol; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-azanyl-3-[(2-phenylmethoxyphenyl)amino]propane-1-thiol; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-amino-3-(2-benzyloxyanilino)propane-1-thiol; 2,2,2-trifluoroacetic acid CAS Name: 2-amino-3-(2-phenylmethoxyanilino)-1-propanethiol; 2,2,2-trifluoroacetic acid IUPAC Name: 2-amino-3-(2-phenylmethoxyanilino)propane-1-thiol; 2,2,2-trifluoroacetic acid Traditional Name: 2-amino-3-(2-benzoxyanilino)propane-1-thiol; 2,2,2-trifluoroacetic acid Formula: C18H21F3N2O3S MolecularWeight: 402.43115

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC=C2NCC(CS)N.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC=C2NCC(CS)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C16H20N2OS.C2HF3O2/c17-14(12-20)10-18-15-8-4-5-9-16(15)19-11-13-6-2-1-3-7-13;3-2(4,5)1(6)7/h1-9,14,18,20H,10-12,17H2;(H,6,7)