2-[[4-azanyl-5-[(2-fluoranylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[[4-azanyl-5-[(2-fluoranylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[4-amino-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[4-amino-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[4-amino-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[4-amino-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C16H20FN5O2S MolecularWeight: 365.425703

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NN=C(N2N)COC3=CC=CC=C3F

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NN=C(N2N)COC3=CC=CC=C3F

InChI

InChI=1S/C16H20FN5O2S/c17-12-6-2-3-7-13(12)24-10-14-19-20-16(22(14)18)25-11-15(23)21-8-4-1-5-9-21/h2-3,6-7H,1,4-5,8-11,18H2