2-[[4-ethyl-5-(phenylazanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[4-ethyl-5-(phenylazanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(anilinomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-(anilinomethyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[5-(anilinomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-(anilinomethyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C13H17N5OS MolecularWeight: 291.37198

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N)CNC2=CC=CC=C2

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N)CNC2=CC=CC=C2

InChI

InChI=1S/C13H17N5OS/c1-2-18-12(8-15-10-6-4-3-5-7-10)16-17-13(18)20-9-11(14)19/h3-7,15H,2,8-9H2,1H3,(H2,14,19)