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

Systemtic Name: 3-[(2-fluorophenyl)methylsulfanyl]-N-(4-methoxy-2-methyl-phenyl)-1H-1,2,4-triazol-5-amine Openeye Name: 3-[(2-fluorophenyl)methylsulfanyl]-N-(4-methoxy-2-methyl-phenyl)-1H-1,2,4-triazol-5-amine CAS Name: 3-[(2-fluorophenyl)methylthio]-N-(4-methoxy-2-methylphenyl)-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[(2-fluorophenyl)methylsulfanyl]-N-(4-methoxy-2-methylphenyl)-1H-1,2,4-triazol-5-amine Traditional Name: [3-[(2-fluorobenzyl)thio]-1H-1,2,4-triazol-5-yl]-(4-methoxy-2-methyl-phenyl)amine Formula: C17H17FN4OS MolecularWeight: 344.406483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)NC2=NC(=NN2)SCC3=CC=CC=C3F

Isomeric SMILES

CC1=C(C=CC(=C1)OC)NC2=NC(=NN2)SCC3=CC=CC=C3F

InChI

InChI=1S/C17H17FN4OS/c1-11-9-13(23-2)7-8-15(11)19-16-20-17(22-21-16)24-10-12-5-3-4-6-14(12)18/h3-9H,10H2,1-2H3,(H2,19,20,21,22)