4-[3-[4-prop-2-enyl-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine

Systemtic Name: 4-[3-[4-prop-2-enyl-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine Openeye Name: 4-[3-[4-allyl-5-(4-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine CAS Name: 4-[3-[4-prop-2-enyl-5-(pyridin-4-ylmethylthio)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine IUPAC Name: 4-[3-[4-prop-2-enyl-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine Traditional Name: 4-[3-[4-allyl-5-(4-pyridylmethylthio)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine Formula: C21H23N5O3S2 MolecularWeight: 457.56902

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=NC=C2)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=NC=C2)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H23N5O3S2/c1-2-10-26-20(23-24-21(26)30-16-17-6-8-22-9-7-17)18-4-3-5-19(15-18)31(27,28)25-11-13-29-14-12-25/h2-9,15H,1,10-14,16H2