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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

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