(3-methyl-1-phenyl-5-prop-2-enylsulfanyl-pyrazol-4-yl)methylidyneazaniumyl-phenyl-azanide

Systemtic Name: (3-methyl-1-phenyl-5-prop-2-enylsulfanyl-pyrazol-4-yl)methylidyneazaniumyl-phenyl-azanide Openeye Name: (5-allylsulfanyl-3-methyl-1-phenyl-pyrazol-4-yl)methylidyneammonio-phenyl-azanide CAS Name: [3-methyl-1-phenyl-5-(prop-2-enylthio)-4-pyrazolyl]methylidyneammonio-phenylazanide IUPAC Name: (3-methyl-1-phenyl-5-prop-2-enylsulfanylpyrazol-4-yl)methylidyneazaniumyl-phenylazanide Traditional Name: [5-(allylthio)-3-methyl-1-phenyl-pyrazol-4-yl]methylidyneammonio-phenyl-azanide Formula: C20H18N4S MolecularWeight: 346.44872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#[N+][N-]C2=CC=CC=C2)SCC=C)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C#[N+][N-]C2=CC=CC=C2)SCC=C)C3=CC=CC=C3

InChI

InChI=1S/C20H18N4S/c1-3-14-25-20-19(15-21-22-17-10-6-4-7-11-17)16(2)23-24(20)18-12-8-5-9-13-18/h3-13H,1,14H2,2H3