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

Systemtic Name: (E)-3-phenyl-1-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)prop-2-en-1-one Openeye Name: (E)-3-phenyl-1-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)prop-2-en-1-one CAS Name: (E)-3-phenyl-1-[3-(prop-2-ynylthio)-1,2,4-triazol-4-yl]-2-propen-1-one IUPAC Name: (E)-3-phenyl-1-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)prop-2-en-1-one Traditional Name: (E)-3-phenyl-1-[3-(propargylthio)-1,2,4-triazol-4-yl]prop-2-en-1-one Formula: C14H11N3OS MolecularWeight: 269.32164

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NN=CN1C(=O)C=CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C14H11N3OS/c1-2-10-19-14-16-15-11-17(14)13(18)9-8-12-6-4-3-5-7-12/h1,3-9,11H,10H2/b9-8+