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

Systemtic Name: 3-[[4-butan-2-yl-5-[3-(diethylsulfamoyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 3-[[5-[3-(diethylsulfamoyl)phenyl]-4-sec-butyl-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 3-[[4-butan-2-yl-5-[3-(diethylsulfamoyl)phenyl]-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 3-[[4-butan-2-yl-5-[3-(diethylsulfamoyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 3-[[5-[3-(diethylsulfamoyl)phenyl]-4-sec-butyl-1,2,4-triazol-3-yl]thio]propionamide Formula: C19H29N5O3S2 MolecularWeight: 439.59526

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=NN=C1SCCC(=O)N)C2=CC(=CC=C2)S(=O)(=O)N(CC)CC

Isomeric SMILES

CCC(C)N1C(=NN=C1SCCC(=O)N)C2=CC(=CC=C2)S(=O)(=O)N(CC)CC

InChI

InChI=1S/C19H29N5O3S2/c1-5-14(4)24-18(21-22-19(24)28-12-11-17(20)25)15-9-8-10-16(13-15)29(26,27)23(6-2)7-3/h8-10,13-14H,5-7,11-12H2,1-4H3,(H2,20,25)