4-[3-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]sulfonylmorpholine

Systemtic Name: 4-[3-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]sulfonylmorpholine Openeye Name: 4-[3-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]sulfonylmorpholine CAS Name: 4-[3-[[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]sulfonylmorpholine IUPAC Name: 4-[3-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]sulfonylmorpholine Traditional Name: 4-[3-[[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]methyl]phenyl]sulfonylmorpholine Formula: C20H27N5O3S2 MolecularWeight: 449.59008

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN=C(N2C3CC3)SCC4=CC(=CC=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

C1CCN(C1)C2=NN=C(N2C3CC3)SCC4=CC(=CC=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C20H27N5O3S2/c26-30(27,24-10-12-28-13-11-24)18-5-3-4-16(14-18)15-29-20-22-21-19(23-8-1-2-9-23)25(20)17-6-7-17/h3-5,14,17H,1-2,6-13,15H2