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

Systemtic Name: 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N,N-diethyl-propanamide Openeye Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N,N-diethyl-propanamide CAS Name: 2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-N,N-diethylpropanamide IUPAC Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N,N-diethylpropanamide Traditional Name: 2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]-N,N-diethyl-propionamide Formula: C16H23N5OS MolecularWeight: 333.45172

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(C)N1C(=NN=C1SCC2=CC=CC=C2)N

Isomeric SMILES

CCN(CC)C(=O)C(C)N1C(=NN=C1SCC2=CC=CC=C2)N

InChI

InChI=1S/C16H23N5OS/c1-4-20(5-2)14(22)12(3)21-15(17)18-19-16(21)23-11-13-9-7-6-8-10-13/h6-10,12H,4-5,11H2,1-3H3,(H2,17,18)