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

Systemtic Name: N-(3,4-dimethoxyphenyl)-3-[(2-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: N-(3,4-dimethoxyphenyl)-3-[(2-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine CAS Name: N-(3,4-dimethoxyphenyl)-3-[(2-fluorophenyl)methylthio]-1H-1,2,4-triazol-5-amine IUPAC Name: N-(3,4-dimethoxyphenyl)-3-[(2-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: (3,4-dimethoxyphenyl)-[3-[(2-fluorobenzyl)thio]-1H-1,2,4-triazol-5-yl]amine Formula: C17H17FN4O2S MolecularWeight: 360.405883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17FN4O2S/c1-23-14-8-7-12(9-15(14)24-2)19-16-20-17(22-21-16)25-10-11-5-3-4-6-13(11)18/h3-9H,10H2,1-2H3,(H2,19,20,21,22)