2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N,N-diethyl-propanamide

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N,N-diethyl-propanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N,N-diethyl-propanamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N,N-diethylpropanamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N,N-diethylpropanamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N,N-diethyl-propionamide Formula: C17H25N5OS MolecularWeight: 347.4783

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(C)N1C(=NN=C1SCCC2=CC=CC=C2)N

Isomeric SMILES

CCN(CC)C(=O)C(C)N1C(=NN=C1SCCC2=CC=CC=C2)N

InChI

InChI=1S/C17H25N5OS/c1-4-21(5-2)15(23)13(3)22-16(18)19-20-17(22)24-12-11-14-9-7-6-8-10-14/h6-10,13H,4-5,11-12H2,1-3H3,(H2,18,19)