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

Systemtic Name: 3-[(2-fluorophenyl)methylsulfanyl]-N-(4-methoxyphenyl)-1H-1,2,4-triazol-5-amine Openeye Name: 3-[(2-fluorophenyl)methylsulfanyl]-N-(4-methoxyphenyl)-1H-1,2,4-triazol-5-amine CAS Name: 3-[(2-fluorophenyl)methylthio]-N-(4-methoxyphenyl)-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[(2-fluorophenyl)methylsulfanyl]-N-(4-methoxyphenyl)-1H-1,2,4-triazol-5-amine Traditional Name: [3-[(2-fluorobenzyl)thio]-1H-1,2,4-triazol-5-yl]-(4-methoxyphenyl)amine Formula: C16H15FN4OS MolecularWeight: 330.379903

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC(=NN2)SCC3=CC=CC=C3F

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC(=NN2)SCC3=CC=CC=C3F

InChI

InChI=1S/C16H15FN4OS/c1-22-13-8-6-12(7-9-13)18-15-19-16(21-20-15)23-10-11-4-2-3-5-14(11)17/h2-9H,10H2,1H3,(H2,18,19,20,21)