3-[(4-fluorophenyl)methylsulfanyl]-N-[(E)-1-phenylethylideneamino]-1H-1,2,4-triazol-5-amine

Systemtic Name: 3-[(4-fluorophenyl)methylsulfanyl]-N-[(E)-1-phenylethylideneamino]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[(4-fluorophenyl)methylsulfanyl]-N-[(E)-1-phenylethylideneamino]-1H-1,2,4-triazol-5-amine CAS Name: 3-[(4-fluorophenyl)methylthio]-N-[(E)-1-phenylethylideneamino]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[(4-fluorophenyl)methylsulfanyl]-N-[(E)-1-phenylethylideneamino]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[(4-fluorobenzyl)thio]-1H-1,2,4-triazol-5-yl]-[(E)-1-phenylethylideneamino]amine Formula: C17H16FN5S MolecularWeight: 341.405843

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=NC(=NN1)SCC2=CC=C(C=C2)F)C3=CC=CC=C3

Isomeric SMILES

C/C(=N\NC1=NC(=NN1)SCC2=CC=C(C=C2)F)/C3=CC=CC=C3

InChI

InChI=1S/C17H16FN5S/c1-12(14-5-3-2-4-6-14)20-21-16-19-17(23-22-16)24-11-13-7-9-15(18)10-8-13/h2-10H,11H2,1H3,(H2,19,21,22,23)/b20-12+