3-[[3,4-bis(fluoranyl)phenyl]methylsulfanyl]-N-(2,6-dimethylphenyl)-1H-1,2,4-triazol-5-amine

Systemtic Name: 3-[[3,4-bis(fluoranyl)phenyl]methylsulfanyl]-N-(2,6-dimethylphenyl)-1H-1,2,4-triazol-5-amine Openeye Name: 3-[(3,4-difluorophenyl)methylsulfanyl]-N-(2,6-dimethylphenyl)-1H-1,2,4-triazol-5-amine CAS Name: 3-[(3,4-difluorophenyl)methylthio]-N-(2,6-dimethylphenyl)-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[(3,4-difluorophenyl)methylsulfanyl]-N-(2,6-dimethylphenyl)-1H-1,2,4-triazol-5-amine Traditional Name: [3-[(3,4-difluorobenzyl)thio]-1H-1,2,4-triazol-5-yl]-(2,6-dimethylphenyl)amine Formula: C17H16F2N4S MolecularWeight: 346.397546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC2=NC(=NN2)SCC3=CC(=C(C=C3)F)F

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC2=NC(=NN2)SCC3=CC(=C(C=C3)F)F

InChI

InChI=1S/C17H16F2N4S/c1-10-4-3-5-11(2)15(10)20-16-21-17(23-22-16)24-9-12-6-7-13(18)14(19)8-12/h3-8H,9H2,1-2H3,(H2,20,21,22,23)