N-[3-[4-(3-chlorophenyl)-5-[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]ethanamide

Systemtic Name: N-[3-[4-(3-chlorophenyl)-5-[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]ethanamide Openeye Name: N-[3-[4-(3-chlorophenyl)-5-[2-(4-morpholinosulfonylphenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]acetamide CAS Name: N-[3-[4-(3-chlorophenyl)-5-[[2-[4-(4-morpholinylsulfonyl)phenyl]-2-oxoethyl]thio]-1,2,4-triazol-3-yl]propyl]acetamide IUPAC Name: N-[3-[4-(3-chlorophenyl)-5-[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]acetamide Traditional Name: N-[3-[4-(3-chlorophenyl)-5-[[2-keto-2-(4-morpholinosulfonylphenyl)ethyl]thio]-1,2,4-triazol-3-yl]propyl]acetamide Formula: C25H28ClN5O5S2 MolecularWeight: 578.10332

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCC1=NN=C(N1C2=CC(=CC=C2)Cl)SCC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC(=O)NCCCC1=NN=C(N1C2=CC(=CC=C2)Cl)SCC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C25H28ClN5O5S2/c1-18(32)27-11-3-6-24-28-29-25(31(24)21-5-2-4-20(26)16-21)37-17-23(33)19-7-9-22(10-8-19)38(34,35)30-12-14-36-15-13-30/h2,4-5,7-10,16H,3,6,11-15,17H2,1H3,(H,27,32)