2-(5-dimorpholin-4-ylphosphinothioyl-1,2,4-triazol-1-yl)-5-(trifluoromethyl)aniline

Systemtic Name: 2-(5-dimorpholin-4-ylphosphinothioyl-1,2,4-triazol-1-yl)-5-(trifluoromethyl)aniline Openeye Name: 2-(5-dimorpholinophosphinothioyl-1,2,4-triazol-1-yl)-5-(trifluoromethyl)aniline CAS Name: 2-[5-[bis(4-morpholinyl)phosphinothioyl]-1,2,4-triazol-1-yl]-5-(trifluoromethyl)aniline IUPAC Name: 2-(5-dimorpholin-4-ylphosphinothioyl-1,2,4-triazol-1-yl)-5-(trifluoromethyl)aniline Traditional Name: [2-(5-dimorpholinothiophosphoryl-1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]amine Formula: C17H22F3N6O2PS MolecularWeight: 462.429551

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1P(=S)(C2=NC=NN2C3=C(C=C(C=C3)C(F)(F)F)N)N4CCOCC4

Isomeric SMILES

C1COCCN1P(=S)(C2=NC=NN2C3=C(C=C(C=C3)C(F)(F)F)N)N4CCOCC4

InChI

InChI=1S/C17H22F3N6O2PS/c18-17(19,20)13-1-2-15(14(21)11-13)26-16(22-12-23-26)29(30,24-3-7-27-8-4-24)25-5-9-28-10-6-25/h1-2,11-12H,3-10,21H2