3-methyl-1-phenyl-5-prop-2-enylsulfanyl-pyrazole-4-carbaldehyde

Systemtic Name: 3-methyl-1-phenyl-5-prop-2-enylsulfanyl-pyrazole-4-carbaldehyde Openeye Name: 5-allylsulfanyl-3-methyl-1-phenyl-pyrazole-4-carbaldehyde CAS Name: 3-methyl-1-phenyl-5-(prop-2-enylthio)-4-pyrazolecarboxaldehyde IUPAC Name: 3-methyl-1-phenyl-5-prop-2-enylsulfanylpyrazole-4-carbaldehyde Traditional Name: 5-(allylthio)-3-methyl-1-phenyl-pyrazole-4-carbaldehyde Formula: C14H14N2OS MolecularWeight: 258.33876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=O)SCC=C)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1C=O)SCC=C)C2=CC=CC=C2

InChI

InChI=1S/C14H14N2OS/c1-3-9-18-14-13(10-17)11(2)15-16(14)12-7-5-4-6-8-12/h3-8,10H,1,9H2,2H3