2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-N-[(3-fluorophenyl)methyl]ethanamide

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-N-[(3-fluorophenyl)methyl]ethanamide Openeye Name: 2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide CAS Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide IUPAC Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide Traditional Name: 2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-ethyl-N-(3-fluorobenzyl)acetamide Formula: C21H22FN5OS MolecularWeight: 411.495683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=CC=C1)F)C(=O)CSC2=NN=C(N2C3CC3)C4=CC=NC=C4

Isomeric SMILES

CCN(CC1=CC(=CC=C1)F)C(=O)CSC2=NN=C(N2C3CC3)C4=CC=NC=C4

InChI

InChI=1S/C21H22FN5OS/c1-2-26(13-15-4-3-5-17(22)12-15)19(28)14-29-21-25-24-20(27(21)18-6-7-18)16-8-10-23-11-9-16/h3-5,8-12,18H,2,6-7,13-14H2,1H3