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

Systemtic Name: 3-[[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]thio]methyl]benzonitrile IUPAC Name: 3-[[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[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(=C3)C#N

Isomeric SMILES

C1CN(N=C1C2=CC=CC=C2)C(=O)CSCC3=CC=CC(=C3)C#N

InChI

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