2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C13H16N4OS MolecularWeight: 276.35734

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N)CCC2=CC=CC=C2

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N)CCC2=CC=CC=C2

InChI

InChI=1S/C13H16N4OS/c1-17-12(8-7-10-5-3-2-4-6-10)15-16-13(17)19-9-11(14)18/h2-6H,7-9H2,1H3,(H2,14,18)