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

Systemtic Name: 3-[[3,4-bis(fluoranyl)phenyl]methylsulfanyl]-N-phenyl-1H-1,2,4-triazol-5-amine Openeye Name: 3-[(3,4-difluorophenyl)methylsulfanyl]-N-phenyl-1H-1,2,4-triazol-5-amine CAS Name: 3-[(3,4-difluorophenyl)methylthio]-N-phenyl-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[(3,4-difluorophenyl)methylsulfanyl]-N-phenyl-1H-1,2,4-triazol-5-amine Traditional Name: [3-[(3,4-difluorobenzyl)thio]-1H-1,2,4-triazol-5-yl]-phenyl-amine Formula: C15H12F2N4S MolecularWeight: 318.344386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12F2N4S/c16-12-7-6-10(8-13(12)17)9-22-15-19-14(20-21-15)18-11-4-2-1-3-5-11/h1-8H,9H2,(H2,18,19,20,21)