(E)-3-(furan-2-yl)-1-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(furan-2-yl)-1-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)prop-2-en-1-one Openeye Name: (E)-3-(2-furyl)-1-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)prop-2-en-1-one CAS Name: (E)-3-(2-furanyl)-1-[3-(prop-2-ynylthio)-1,2,4-triazol-4-yl]-2-propen-1-one IUPAC Name: (E)-3-(furan-2-yl)-1-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)prop-2-en-1-one Traditional Name: (E)-3-(2-furyl)-1-[3-(propargylthio)-1,2,4-triazol-4-yl]prop-2-en-1-one Formula: C12H9N3O2S MolecularWeight: 259.28376

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NN=CN1C(=O)C=CC2=CC=CO2

Isomeric SMILES

C#CCSC1=NN=CN1C(=O)/C=C/C2=CC=CO2

InChI

InChI=1S/C12H9N3O2S/c1-2-8-18-12-14-13-9-15(12)11(16)6-5-10-4-3-7-17-10/h1,3-7,9H,8H2/b6-5+