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

Systemtic Name: 2-[[4-azanyl-5-[(4-phenylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-ethanamide Openeye Name: 2-[[4-amino-5-[(4-phenylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-acetamide CAS Name: 2-[[4-amino-5-[(4-phenylphenyl)methylthio]-1,2,4-triazol-3-yl]thio]-N,N-diethylacetamide IUPAC Name: 2-[[4-amino-5-[(4-phenylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethylacetamide Traditional Name: 2-[[4-amino-5-[(4-phenylbenzyl)thio]-1,2,4-triazol-3-yl]thio]-N,N-diethyl-acetamide Formula: C21H25N5OS2 MolecularWeight: 427.5861

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NN=C(N1N)SCC2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)C(=O)CSC1=NN=C(N1N)SCC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H25N5OS2/c1-3-25(4-2)19(27)15-29-21-24-23-20(26(21)22)28-14-16-10-12-18(13-11-16)17-8-6-5-7-9-17/h5-13H,3-4,14-15,22H2,1-2H3