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

Systemtic Name: 3-[(3-methylquinoxalin-2-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(3-methylquinoxalin-2-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine CAS Name: 3-[(3-methyl-2-quinoxalinyl)methylthio]-5-(trifluoromethyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(3-methylquinoxalin-2-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(3-methylquinoxalin-2-yl)methylthio]-5-(trifluoromethyl)-1,2,4-triazol-4-yl]amine Formula: C13H11F3N6S MolecularWeight: 340.32685

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1CSC3=NN=C(N3N)C(F)(F)F

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1CSC3=NN=C(N3N)C(F)(F)F

InChI

InChI=1S/C13H11F3N6S/c1-7-10(19-9-5-3-2-4-8(9)18-7)6-23-12-21-20-11(22(12)17)13(14,15)16/h2-5H,6,17H2,1H3