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

Systemtic Name: 2-[[4-azanyl-5-[3-(diethylsulfamoyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-butyl-ethanamide Openeye Name: 2-[[4-amino-5-[3-(diethylsulfamoyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-butyl-acetamide CAS Name: 2-[[4-amino-5-[3-(diethylsulfamoyl)phenyl]-1,2,4-triazol-3-yl]thio]-N-butylacetamide IUPAC Name: 2-[[4-amino-5-[3-(diethylsulfamoyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-butylacetamide Traditional Name: 2-[[4-amino-5-[3-(diethylsulfamoyl)phenyl]-1,2,4-triazol-3-yl]thio]-N-butyl-acetamide Formula: C18H28N6O3S2 MolecularWeight: 440.58332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NN=C(N1N)C2=CC(=CC=C2)S(=O)(=O)N(CC)CC

Isomeric SMILES

CCCCNC(=O)CSC1=NN=C(N1N)C2=CC(=CC=C2)S(=O)(=O)N(CC)CC

InChI

InChI=1S/C18H28N6O3S2/c1-4-7-11-20-16(25)13-28-18-22-21-17(24(18)19)14-9-8-10-15(12-14)29(26,27)23(5-2)6-3/h8-10,12H,4-7,11,13,19H2,1-3H3,(H,20,25)