2-[[4-azanyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)ethanamide

Systemtic Name: 2-[[4-azanyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)ethanamide Openeye Name: 2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide CAS Name: 2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]-N-(3,5-dimethoxyphenyl)acetamide IUPAC Name: 2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide Traditional Name: 2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]-N-(3,5-dimethoxyphenyl)acetamide Formula: C13H14F3N5O3S MolecularWeight: 377.34217

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(N2N)C(F)(F)F)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(N2N)C(F)(F)F)OC

InChI

InChI=1S/C13H14F3N5O3S/c1-23-8-3-7(4-9(5-8)24-2)18-10(22)6-25-12-20-19-11(21(12)17)13(14,15)16/h3-5H,6,17H2,1-2H3,(H,18,22)