2-[(5-oxidanylidene-1,2-dihydropyrazol-3-yl)methylsulfanyl]-6-phenyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(5-oxidanylidene-1,2-dihydropyrazol-3-yl)methylsulfanyl]-6-phenyl-pyridine-3-carbonitrile Openeye Name: 2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]-6-phenyl-pyridine-3-carbonitrile CAS Name: 2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylthio]-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]-6-phenylpyridine-3-carbonitrile Traditional Name: 2-[(5-keto-3-pyrazolin-3-yl)methylthio]-6-phenyl-nicotinonitrile Formula: C16H12N4OS MolecularWeight: 308.35768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCC3=CC(=O)NN3

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCC3=CC(=O)NN3

InChI

InChI=1S/C16H12N4OS/c17-9-12-6-7-14(11-4-2-1-3-5-11)18-16(12)22-10-13-8-15(21)20-19-13/h1-8H,10H2,(H2,19,20,21)