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

Systemtic Name: 2-[[4-azanyl-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynyl-ethanamide Openeye Name: 2-[[4-amino-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynyl-acetamide CAS Name: 2-[[4-amino-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-prop-2-ynylacetamide IUPAC Name: 2-[[4-amino-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynylacetamide Traditional Name: 2-[[4-amino-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-propargyl-acetamide Formula: C16H19N5O2S MolecularWeight: 345.41936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O2S/c1-4-5-18-15(22)10-24-16-20-19-14(21(16)17)9-23-13-7-11(2)6-12(3)8-13/h1,6-8H,5,9-10,17H2,2-3H3,(H,18,22)