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

Systemtic Name: 3-[(3-chloranyl-4-methyl-quinolin-2-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(3-chloro-4-methyl-2-quinolyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine CAS Name: 3-[(3-chloro-4-methyl-2-quinolinyl)methylthio]-5-(trifluoromethyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(3-chloro-4-methylquinolin-2-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(3-chloro-4-methyl-2-quinolyl)methylthio]-5-(trifluoromethyl)-1,2,4-triazol-4-yl]amine Formula: C14H11ClF3N5S MolecularWeight: 373.78385

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=C(N3N)C(F)(F)F)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=C(N3N)C(F)(F)F)Cl

InChI

InChI=1S/C14H11ClF3N5S/c1-7-8-4-2-3-5-9(8)20-10(11(7)15)6-24-13-22-21-12(23(13)19)14(16,17)18/h2-5H,6,19H2,1H3