3-[[5-[(3R)-3-methyl-2H-1,4-benzodioxin-3-yl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-4-oxidanyl-pent-3-en-2-one

Systemtic Name: 3-[[5-[(3R)-3-methyl-2H-1,4-benzodioxin-3-yl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-4-oxidanyl-pent-3-en-2-one Openeye Name: 3-[[4-allyl-5-[(3R)-3-methyl-2H-1,4-benzodioxin-3-yl]-1,2,4-triazol-3-yl]sulfanyl]-4-hydroxy-pent-3-en-2-one CAS Name: 4-hydroxy-3-[[5-[(3R)-3-methyl-2H-1,4-benzodioxin-3-yl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-3-penten-2-one IUPAC Name: 4-hydroxy-3-[[5-[(3R)-3-methyl-2H-1,4-benzodioxin-3-yl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]pent-3-en-2-one Traditional Name: 3-[[4-allyl-5-[(3R)-3-methyl-2H-1,4-benzodioxin-3-yl]-1,2,4-triazol-3-yl]thio]-4-hydroxy-pent-3-en-2-one Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)C)SC1=NN=C(N1CC=C)C2(COC3=CC=CC=C3O2)C)O

Isomeric SMILES

CC(=C(C(=O)C)SC1=NN=C(N1CC=C)[C@@]2(COC3=CC=CC=C3O2)C)O

InChI

InChI=1S/C19H21N3O4S/c1-5-10-22-17(20-21-18(22)27-16(12(2)23)13(3)24)19(4)11-25-14-8-6-7-9-15(14)26-19/h5-9,23H,1,10-11H2,2-4H3/t19-/m0/s1