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

Systemtic Name: 3-[[4-cycloheptyl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-ol Openeye Name: 3-[[4-cycloheptyl-5-(3-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-ol CAS Name: 3-[[4-cycloheptyl-5-[3-(4-morpholinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]-1-propanol IUPAC Name: 3-[[4-cycloheptyl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-ol Traditional Name: 3-[[4-cycloheptyl-5-(3-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]propan-1-ol Formula: C22H32N4O4S2 MolecularWeight: 480.64388

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N2C(=NN=C2SCCCO)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CCCC(CC1)N2C(=NN=C2SCCCO)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H32N4O4S2/c27-13-6-16-31-22-24-23-21(26(22)19-8-3-1-2-4-9-19)18-7-5-10-20(17-18)32(28,29)25-11-14-30-15-12-25/h5,7,10,17,19,27H,1-4,6,8-9,11-16H2