5-ethanoyl-6-methyl-2-(2-naphthalen-2-yl-2-oxidanylidene-ethyl)sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 5-ethanoyl-6-methyl-2-(2-naphthalen-2-yl-2-oxidanylidene-ethyl)sulfanyl-pyridine-3-carbonitrile Openeye Name: 5-acetyl-6-methyl-2-[2-(2-naphthyl)-2-oxo-ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-2-[[2-(2-naphthalenyl)-2-oxoethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-6-methyl-2-(2-naphthalen-2-yl-2-oxoethyl)sulfanylpyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[[2-keto-2-(2-naphthyl)ethyl]thio]-6-methyl-nicotinonitrile Formula: C21H16N2O2S MolecularWeight: 360.42894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC(=O)C2=CC3=CC=CC=C3C=C2)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC(=O)C2=CC3=CC=CC=C3C=C2)C#N)C(=O)C

InChI

InChI=1S/C21H16N2O2S/c1-13-19(14(2)24)10-18(11-22)21(23-13)26-12-20(25)17-8-7-15-5-3-4-6-16(15)9-17/h3-10H,12H2,1-2H3