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

Systemtic Name: 2-[[4-azanyl-5-[(4-fluoranylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-propanamide Openeye Name: 2-[[4-amino-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-propanamide CAS Name: 2-[[4-amino-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-cycloheptylpropanamide IUPAC Name: 2-[[4-amino-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptylpropanamide Traditional Name: 2-[[4-amino-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-cycloheptyl-propionamide Formula: C19H26FN5O2S MolecularWeight: 407.505443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)SC2=NN=C(N2N)COC3=CC=C(C=C3)F

Isomeric SMILES

CC(C(=O)NC1CCCCCC1)SC2=NN=C(N2N)COC3=CC=C(C=C3)F

InChI

InChI=1S/C19H26FN5O2S/c1-13(18(26)22-15-6-4-2-3-5-7-15)28-19-24-23-17(25(19)21)12-27-16-10-8-14(20)9-11-16/h8-11,13,15H,2-7,12,21H2,1H3,(H,22,26)