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

Systemtic Name: 3-[(2-fluorophenyl)methylsulfanyl]-N-(2-phenylphenyl)-1H-1,2,4-triazol-5-amine Openeye Name: 3-[(2-fluorophenyl)methylsulfanyl]-N-(2-phenylphenyl)-1H-1,2,4-triazol-5-amine CAS Name: 3-[(2-fluorophenyl)methylthio]-N-(2-phenylphenyl)-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[(2-fluorophenyl)methylsulfanyl]-N-(2-phenylphenyl)-1H-1,2,4-triazol-5-amine Traditional Name: [3-[(2-fluorobenzyl)thio]-1H-1,2,4-triazol-5-yl]-(2-phenylphenyl)amine Formula: C21H17FN4S MolecularWeight: 376.449883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2NC3=NC(=NN3)SCC4=CC=CC=C4F

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2NC3=NC(=NN3)SCC4=CC=CC=C4F

InChI

InChI=1S/C21H17FN4S/c22-18-12-6-4-10-16(18)14-27-21-24-20(25-26-21)23-19-13-7-5-11-17(19)15-8-2-1-3-9-15/h1-13H,14H2,(H2,23,24,25,26)