4,5,6-trimethyl-2-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)sulfanyl]pyridine-3-carbonitrile

Systemtic Name: 4,5,6-trimethyl-2-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)sulfanyl]pyridine-3-carbonitrile Openeye Name: 4,5,6-trimethyl-2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)sulfanyl]pyridine-3-carbonitrile CAS Name: 4,5,6-trimethyl-2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)thio]-3-pyridinecarbonitrile IUPAC Name: 4,5,6-trimethyl-2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)sulfanyl]pyridine-3-carbonitrile Traditional Name: 2-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)thio]-4,5,6-trimethyl-nicotinonitrile Formula: C19H18N4OS MolecularWeight: 350.43742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1SC2=NC(=C(C(=C2C#N)C)C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=O)C1SC2=NC(=C(C(=C2C#N)C)C)C)C3=CC=CC=C3

InChI

InChI=1S/C19H18N4OS/c1-11-12(2)16(10-20)18(21-13(11)3)25-17-14(4)22-23(19(17)24)15-8-6-5-7-9-15/h5-9,17H,1-4H3