3-[[4-azanyl-5-[3-(diethylsulfamoyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: 3-[[4-azanyl-5-[3-(diethylsulfamoyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 3-[[4-amino-5-[3-(diethylsulfamoyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 3-[[4-amino-5-[3-(diethylsulfamoyl)phenyl]-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 3-[[4-amino-5-[3-(diethylsulfamoyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 3-[[4-amino-5-[3-(diethylsulfamoyl)phenyl]-1,2,4-triazol-3-yl]thio]propionamide Formula: C15H22N6O3S2 MolecularWeight: 398.50358

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2N)SCCC(=O)N

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2N)SCCC(=O)N

InChI

InChI=1S/C15H22N6O3S2/c1-3-20(4-2)26(23,24)12-7-5-6-11(10-12)14-18-19-15(21(14)17)25-9-8-13(16)22/h5-7,10H,3-4,8-9,17H2,1-2H3,(H2,16,22)