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

Systemtic Name: 4-[3-[4-cyclopentyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine Openeye Name: 4-[3-(4-cyclopentyl-5-isobutylsulfanyl-1,2,4-triazol-3-yl)phenyl]sulfonylmorpholine CAS Name: 4-[3-[4-cyclopentyl-5-(2-methylpropylthio)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine IUPAC Name: 4-[3-[4-cyclopentyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine Traditional Name: 4-[3-[4-cyclopentyl-5-(isobutylthio)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine Formula: C21H30N4O3S2 MolecularWeight: 450.6179

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NN=C(N1C2CCCC2)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC(C)CSC1=NN=C(N1C2CCCC2)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H30N4O3S2/c1-16(2)15-29-21-23-22-20(25(21)18-7-3-4-8-18)17-6-5-9-19(14-17)30(26,27)24-10-12-28-13-11-24/h5-6,9,14,16,18H,3-4,7-8,10-13,15H2,1-2H3