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

Systemtic Name: 4-[3-(4-cycloheptyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)phenyl]sulfonylmorpholine Openeye Name: 4-[3-(4-cycloheptyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)phenyl]sulfonylmorpholine CAS Name: 4-[3-[4-cycloheptyl-5-(ethylthio)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine IUPAC Name: 4-[3-(4-cycloheptyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)phenyl]sulfonylmorpholine Traditional Name: 4-[3-[4-cycloheptyl-5-(ethylthio)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine Formula: C21H30N4O3S2 MolecularWeight: 450.6179

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1C2CCCCCC2)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCSC1=NN=C(N1C2CCCCCC2)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H30N4O3S2/c1-2-29-21-23-22-20(25(21)18-9-5-3-4-6-10-18)17-8-7-11-19(16-17)30(26,27)24-12-14-28-15-13-24/h7-8,11,16,18H,2-6,9-10,12-15H2,1H3