2-[[4-azanyl-5-[(2-fluoranylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-pyrimidin-2-yl-propanamide

Systemtic Name: 2-[[4-azanyl-5-[(2-fluoranylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-pyrimidin-2-yl-propanamide Openeye Name: 2-[[4-amino-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-pyrimidin-2-yl-propanamide CAS Name: 2-[[4-amino-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-(2-pyrimidinyl)propanamide IUPAC Name: 2-[[4-amino-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-pyrimidin-2-ylpropanamide Traditional Name: 2-[[4-amino-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-(2-pyrimidyl)propionamide Formula: C16H16FN7O2S MolecularWeight: 389.407343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=CC=N1)SC2=NN=C(N2N)COC3=CC=CC=C3F

Isomeric SMILES

CC(C(=O)NC1=NC=CC=N1)SC2=NN=C(N2N)COC3=CC=CC=C3F

InChI

InChI=1S/C16H16FN7O2S/c1-10(14(25)21-15-19-7-4-8-20-15)27-16-23-22-13(24(16)18)9-26-12-6-3-2-5-11(12)17/h2-8,10H,9,18H2,1H3,(H,19,20,21,25)