2-[[4-butan-2-yl-5-[3-(diethylsulfamoyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-[[4-butan-2-yl-5-[3-(diethylsulfamoyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynyl-ethanamide Openeye Name: 2-[[5-[3-(diethylsulfamoyl)phenyl]-4-sec-butyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynyl-acetamide CAS Name: 2-[[4-butan-2-yl-5-[3-(diethylsulfamoyl)phenyl]-1,2,4-triazol-3-yl]thio]-N-prop-2-ynylacetamide IUPAC Name: 2-[[4-butan-2-yl-5-[3-(diethylsulfamoyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynylacetamide Traditional Name: 2-[[5-[3-(diethylsulfamoyl)phenyl]-4-sec-butyl-1,2,4-triazol-3-yl]thio]-N-propargyl-acetamide Formula: C21H29N5O3S2 MolecularWeight: 463.61666

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=NN=C1SCC(=O)NCC#C)C2=CC(=CC=C2)S(=O)(=O)N(CC)CC

Isomeric SMILES

CCC(C)N1C(=NN=C1SCC(=O)NCC#C)C2=CC(=CC=C2)S(=O)(=O)N(CC)CC

InChI

InChI=1S/C21H29N5O3S2/c1-6-13-22-19(27)15-30-21-24-23-20(26(21)16(5)7-2)17-11-10-12-18(14-17)31(28,29)25(8-3)9-4/h1,10-12,14,16H,7-9,13,15H2,2-5H3,(H,22,27)