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

Systemtic Name: 4-[3-(5-ethylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)phenyl]sulfonylmorpholine Openeye Name: 4-[3-(4-allyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)phenyl]sulfonylmorpholine CAS Name: 4-[3-[5-(ethylthio)-4-prop-2-enyl-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine IUPAC Name: 4-[3-(5-ethylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)phenyl]sulfonylmorpholine Traditional Name: 4-[3-[4-allyl-5-(ethylthio)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine Formula: C17H22N4O3S2 MolecularWeight: 394.51158

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1CC=C)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCSC1=NN=C(N1CC=C)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C17H22N4O3S2/c1-3-8-21-16(18-19-17(21)25-4-2)14-6-5-7-15(13-14)26(22,23)20-9-11-24-12-10-20/h3,5-7,13H,1,4,8-12H2,2H3