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

Systemtic Name: 2-[[4-azanyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-ethanamide Openeye Name: 2-[[4-amino-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-acetamide CAS Name: 2-[[4-amino-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]thio]-N,N-diethylacetamide IUPAC Name: 2-[[4-amino-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethylacetamide Traditional Name: 2-[[4-amino-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]thio]-N,N-diethyl-acetamide Formula: C15H20N6O3S2 MolecularWeight: 396.4877

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NN=C(N1N)SCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)CSC1=NN=C(N1N)SCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H20N6O3S2/c1-3-19(4-2)13(22)10-26-15-18-17-14(20(15)16)25-9-11-5-7-12(8-6-11)21(23)24/h5-8H,3-4,9-10,16H2,1-2H3