2-[[5-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[5-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-[4-(1-azepanylsulfonyl)phenyl]-4-ethyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[5-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H25N5O3S2 MolecularWeight: 423.5528

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C18H25N5O3S2/c1-2-23-17(20-21-18(23)27-13-16(19)24)14-7-9-15(10-8-14)28(25,26)22-11-5-3-4-6-12-22/h7-10H,2-6,11-13H2,1H3,(H2,19,24)