3-methyl-1-phenyl-5-prop-2-enylsulfanyl-pyrazole-4-carbonitrile oxide

Systemtic Name: 3-methyl-1-phenyl-5-prop-2-enylsulfanyl-pyrazole-4-carbonitrile oxide Openeye Name: 5-allylsulfanyl-3-methyl-1-phenyl-pyrazole-4-carbonitrile oxide CAS Name: 3-methyl-1-phenyl-5-(prop-2-enylthio)-4-pyrazolecarbonitrile oxide IUPAC Name: 3-methyl-1-phenyl-5-prop-2-enylsulfanylpyrazole-4-carbonitrile oxide Traditional Name: 5-(allylthio)-3-methyl-1-phenyl-pyrazole-4-carbonitrile oxide Formula: C14H13N3OS MolecularWeight: 271.33752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#[N+][O-])SCC=C)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1C#[N+][O-])SCC=C)C2=CC=CC=C2

InChI

InChI=1S/C14H13N3OS/c1-3-9-19-14-13(10-15-18)11(2)16-17(14)12-7-5-4-6-8-12/h3-8H,1,9H2,2H3