4-[3-[4-cycloheptyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine

Systemtic Name: 4-[3-[4-cycloheptyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine Openeye Name: 4-[3-(4-cycloheptyl-5-isobutylsulfanyl-1,2,4-triazol-3-yl)phenyl]sulfonylmorpholine CAS Name: 4-[3-[4-cycloheptyl-5-(2-methylpropylthio)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine IUPAC Name: 4-[3-[4-cycloheptyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine Traditional Name: 4-[3-[4-cycloheptyl-5-(isobutylthio)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine Formula: C23H34N4O3S2 MolecularWeight: 478.67106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NN=C(N1C2CCCCCC2)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC(C)CSC1=NN=C(N1C2CCCCCC2)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C23H34N4O3S2/c1-18(2)17-31-23-25-24-22(27(23)20-9-5-3-4-6-10-20)19-8-7-11-21(16-19)32(28,29)26-12-14-30-15-13-26/h7-8,11,16,18,20H,3-6,9-10,12-15,17H2,1-2H3