2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N,N-diethyl-ethanamide

Systemtic Name: 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N,N-diethyl-ethanamide Openeye Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N,N-diethyl-acetamide CAS Name: 2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-N,N-diethylacetamide IUPAC Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N,N-diethylacetamide Traditional Name: 2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]-N,N-diethyl-acetamide Formula: C15H21N5OS MolecularWeight: 319.42514

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CN1C(=NN=C1SCC2=CC=CC=C2)N

Isomeric SMILES

CCN(CC)C(=O)CN1C(=NN=C1SCC2=CC=CC=C2)N

InChI

InChI=1S/C15H21N5OS/c1-3-19(4-2)13(21)10-20-14(16)17-18-15(20)22-11-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H2,16,17)