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

Systemtic Name: 2-[[4-butyl-5-[4-(phenylsulfonylamino)phenyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-[4-(benzenesulfonamido)phenyl]-4-butyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-[4-(benzenesulfonamido)phenyl]-4-butyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[5-[4-(benzenesulfonamido)phenyl]-4-butyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-[4-(benzenesulfonamido)phenyl]-4-butyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H23N5O3S2 MolecularWeight: 445.55832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)N)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)N)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H23N5O3S2/c1-2-3-13-25-19(22-23-20(25)29-14-18(21)26)15-9-11-16(12-10-15)24-30(27,28)17-7-5-4-6-8-17/h4-12,24H,2-3,13-14H2,1H3,(H2,21,26)