2-[[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]thio]methyl]benzonitrile IUPAC Name: 2-[[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl]thio]methyl]benzonitrile Formula: C19H17N3OS MolecularWeight: 335.42278

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=CC=C2)C(=O)CSCC3=CC=CC=C3C#N

Isomeric SMILES

C1CN(N=C1C2=CC=CC=C2)C(=O)CSCC3=CC=CC=C3C#N

InChI

InChI=1S/C19H17N3OS/c20-12-16-8-4-5-9-17(16)13-24-14-19(23)22-11-10-18(21-22)15-6-2-1-3-7-15/h1-9H,10-11,13-14H2