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

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone Openeye Name: 2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-morpholinosulfonylphenyl)ethanone CAS Name: 2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-[4-(4-morpholinylsulfonyl)phenyl]ethanone IUPAC Name: 2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone Traditional Name: 2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(4-morpholinosulfonylphenyl)ethanone Formula: C22H23N5O4S2 MolecularWeight: 485.57912

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C5=CN=CC=C5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C5=CN=CC=C5

InChI

InChI=1S/C22H23N5O4S2/c28-20(16-3-7-19(8-4-16)33(29,30)26-10-12-31-13-11-26)15-32-22-25-24-21(27(22)18-5-6-18)17-2-1-9-23-14-17/h1-4,7-9,14,18H,5-6,10-13,15H2