2-[2-(2,5-dimethyl-1-pyridin-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carbonitrile

Systemtic Name: 2-[2-(2,5-dimethyl-1-pyridin-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carbonitrile Openeye Name: 2-[2-[2,5-dimethyl-1-(2-pyridyl)pyrrol-3-yl]-2-oxo-ethyl]sulfanylpyridine-3-carbonitrile CAS Name: 2-[[2-[2,5-dimethyl-1-(2-pyridinyl)-3-pyrrolyl]-2-oxoethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 2-[2-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 2-[[2-[2,5-dimethyl-1-(2-pyridyl)pyrrol-3-yl]-2-keto-ethyl]thio]nicotinonitrile Formula: C19H16N4OS MolecularWeight: 348.42154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=N2)C)C(=O)CSC3=C(C=CC=N3)C#N

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=N2)C)C(=O)CSC3=C(C=CC=N3)C#N

InChI

InChI=1S/C19H16N4OS/c1-13-10-16(14(2)23(13)18-7-3-4-8-21-18)17(24)12-25-19-15(11-20)6-5-9-22-19/h3-10H,12H2,1-2H3