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

Systemtic Name: N-(2,6-dimethylphenyl)-3-[(4-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: N-(2,6-dimethylphenyl)-3-[(4-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine CAS Name: N-(2,6-dimethylphenyl)-3-[(4-fluorophenyl)methylthio]-1H-1,2,4-triazol-5-amine IUPAC Name: N-(2,6-dimethylphenyl)-3-[(4-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: (2,6-dimethylphenyl)-[3-[(4-fluorobenzyl)thio]-1H-1,2,4-triazol-5-yl]amine Formula: C17H17FN4S MolecularWeight: 328.407083

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H17FN4S/c1-11-4-3-5-12(2)15(11)19-16-20-17(22-21-16)23-10-13-6-8-14(18)9-7-13/h3-9H,10H2,1-2H3,(H2,19,20,21,22)