1-[[5-(4-morpholin-4-ylsulfonylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one

Systemtic Name: 1-[[5-(4-morpholin-4-ylsulfonylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[5-(4-morpholinosulfonylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[5-[4-(4-morpholinylsulfonyl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[5-(4-morpholin-4-ylsulfonylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[5-(4-morpholinosulfonylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetone Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H22N4O4S2/c1-16(26)15-30-21-23-22-20(25(21)18-5-3-2-4-6-18)17-7-9-19(10-8-17)31(27,28)24-11-13-29-14-12-24/h2-10H,11-15H2,1H3