4-[3-(4-cyclopentyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)phenyl]sulfonylmorpholine

Systemtic Name: 4-[3-(4-cyclopentyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)phenyl]sulfonylmorpholine Openeye Name: 4-[3-(4-cyclopentyl-5-isopropylsulfanyl-1,2,4-triazol-3-yl)phenyl]sulfonylmorpholine CAS Name: 4-[3-[4-cyclopentyl-5-(propan-2-ylthio)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine IUPAC Name: 4-[3-(4-cyclopentyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)phenyl]sulfonylmorpholine Traditional Name: 4-[3-[4-cyclopentyl-5-(isopropylthio)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine Formula: C20H28N4O3S2 MolecularWeight: 436.59132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NN=C(N1C2CCCC2)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC(C)SC1=NN=C(N1C2CCCC2)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H28N4O3S2/c1-15(2)28-20-22-21-19(24(20)17-7-3-4-8-17)16-6-5-9-18(14-16)29(25,26)23-10-12-27-13-11-23/h5-6,9,14-15,17H,3-4,7-8,10-13H2,1-2H3