3-[(3-phenoxyphenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(3-phenoxyphenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(3-phenoxyphenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine CAS Name: 3-[(3-phenoxyphenyl)methylthio]-5-(trifluoromethyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(3-phenoxyphenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(3-phenoxybenzyl)thio]-5-(trifluoromethyl)-1,2,4-triazol-4-yl]amine Formula: C16H13F3N4OS MolecularWeight: 366.36083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)CSC3=NN=C(N3N)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)CSC3=NN=C(N3N)C(F)(F)F

InChI

InChI=1S/C16H13F3N4OS/c17-16(18,19)14-21-22-15(23(14)20)25-10-11-5-4-8-13(9-11)24-12-6-2-1-3-7-12/h1-9H,10,20H2