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

Systemtic Name: 2-[[4-azanyl-5-[(3-cyanophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-ethanamide Openeye Name: 2-[[4-amino-5-[(3-cyanophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-acetamide CAS Name: 2-[[4-amino-5-[(3-cyanophenyl)methylthio]-1,2,4-triazol-3-yl]thio]-N,N-diethylacetamide IUPAC Name: 2-[[4-amino-5-[(3-cyanophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethylacetamide Traditional Name: 2-[[4-amino-5-[(3-cyanobenzyl)thio]-1,2,4-triazol-3-yl]thio]-N,N-diethyl-acetamide Formula: C16H20N6OS2 MolecularWeight: 376.4996

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NN=C(N1N)SCC2=CC=CC(=C2)C#N

Isomeric SMILES

CCN(CC)C(=O)CSC1=NN=C(N1N)SCC2=CC=CC(=C2)C#N

InChI

InChI=1S/C16H20N6OS2/c1-3-21(4-2)14(23)11-25-16-20-19-15(22(16)18)24-10-13-7-5-6-12(8-13)9-17/h5-8H,3-4,10-11,18H2,1-2H3