4-[3-[4-(furan-2-ylmethyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine

Systemtic Name: 4-[3-[4-(furan-2-ylmethyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine Openeye Name: 4-[3-[5-allylsulfanyl-4-(2-furylmethyl)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine CAS Name: 4-[3-[4-(2-furanylmethyl)-5-(prop-2-enylthio)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine IUPAC Name: 4-[3-[4-(furan-2-ylmethyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine Traditional Name: 4-[3-[5-(allylthio)-4-(2-furfuryl)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine Formula: C20H22N4O4S2 MolecularWeight: 446.54308

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(N1CC2=CC=CO2)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C=CCSC1=NN=C(N1CC2=CC=CO2)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H22N4O4S2/c1-2-13-29-20-22-21-19(24(20)15-17-6-4-10-28-17)16-5-3-7-18(14-16)30(25,26)23-8-11-27-12-9-23/h2-7,10,14H,1,8-9,11-13,15H2