2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-N-methyl-ethanamide

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-N-methyl-ethanamide Openeye Name: 2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(3-fluoro-4-methoxy-phenyl)methyl]-N-methyl-acetamide CAS Name: 2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide IUPAC Name: 2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide Traditional Name: 2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(3-fluoro-4-methoxy-benzyl)-N-methyl-acetamide Formula: C21H22FN5O2S MolecularWeight: 427.495083

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C=C1)OC)F)C(=O)CSC2=NN=C(N2C3CC3)C4=CN=CC=C4

Isomeric SMILES

CN(CC1=CC(=C(C=C1)OC)F)C(=O)CSC2=NN=C(N2C3CC3)C4=CN=CC=C4

InChI

InChI=1S/C21H22FN5O2S/c1-26(12-14-5-8-18(29-2)17(22)10-14)19(28)13-30-21-25-24-20(27(21)16-6-7-16)15-4-3-9-23-11-15/h3-5,8-11,16H,6-7,12-13H2,1-2H3