2-[(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[(4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methylthio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[(4-cyano-5-methyl-2-phenylpyrazol-3-yl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methylthio]-4,6-dimethyl-nicotinonitrile Formula: C20H17N5S MolecularWeight: 359.44748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC2=C(C(=NN2C3=CC=CC=C3)C)C#N)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC2=C(C(=NN2C3=CC=CC=C3)C)C#N)C

InChI

InChI=1S/C20H17N5S/c1-13-9-14(2)23-20(17(13)10-21)26-12-19-18(11-22)15(3)24-25(19)16-7-5-4-6-8-16/h4-9H,12H2,1-3H3