2-[[3-(4-ethylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]methylidene]propanedinitrile

Systemtic Name: 2-[[3-(4-ethylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]methylidene]propanedinitrile Openeye Name: 2-[[3-(4-ethylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]methylene]propanedinitrile CAS Name: 2-[[3-[4-(ethylthio)phenyl]-1-phenyl-4-pyrazolyl]methylidene]propanedinitrile IUPAC Name: 2-[[3-(4-ethylsulfanylphenyl)-1-phenylpyrazol-4-yl]methylidene]propanedinitrile Traditional Name: 2-[[3-[4-(ethylthio)phenyl]-1-phenyl-pyrazol-4-yl]methylene]malononitrile Formula: C21H16N4S MolecularWeight: 356.44354

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C#N)C3=CC=CC=C3

Isomeric SMILES

CCSC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C#N)C3=CC=CC=C3

InChI

InChI=1S/C21H16N4S/c1-2-26-20-10-8-17(9-11-20)21-18(12-16(13-22)14-23)15-25(24-21)19-6-4-3-5-7-19/h3-12,15H,2H2,1H3