2-[[4-azanyl-5-[(2,6-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-ethanamide

Systemtic Name: 2-[[4-azanyl-5-[(2,6-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-ethanamide Openeye Name: 2-[[4-amino-5-[(2,6-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-acetamide CAS Name: 2-[[4-amino-5-[(2,6-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-methylacetamide IUPAC Name: 2-[[4-amino-5-[(2,6-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide Traditional Name: 2-[[4-amino-5-[(2,6-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-methyl-acetamide Formula: C14H19N5O2S MolecularWeight: 321.39796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC2=NN=C(N2N)SCC(=O)NC

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC2=NN=C(N2N)SCC(=O)NC

InChI

InChI=1S/C14H19N5O2S/c1-9-5-4-6-10(2)13(9)21-7-11-17-18-14(19(11)15)22-8-12(20)16-3/h4-6H,7-8,15H2,1-3H3,(H,16,20)