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

Systemtic Name: 4-[3-[5-(phenylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine Openeye Name: 4-[3-(4-allyl-5-benzylsulfanyl-1,2,4-triazol-3-yl)phenyl]sulfonylmorpholine CAS Name: 4-[3-[5-(phenylmethylthio)-4-prop-2-enyl-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine IUPAC Name: 4-[3-(5-benzylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)phenyl]sulfonylmorpholine Traditional Name: 4-[3-[4-allyl-5-(benzylthio)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3S2/c1-2-11-26-21(23-24-22(26)30-17-18-7-4-3-5-8-18)19-9-6-10-20(16-19)31(27,28)25-12-14-29-15-13-25/h2-10,16H,1,11-15,17H2