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

Systemtic Name: 2-[2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carbonitrile Openeye Name: 2-[2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]sulfanylpyridine-3-carbonitrile CAS Name: 2-[[2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 2-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]ethyl]thio]nicotinonitrile Formula: C17H19N3O2S MolecularWeight: 329.41666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCOC)C)C(=O)CSC2=C(C=CC=N2)C#N

Isomeric SMILES

CC1=CC(=C(N1CCOC)C)C(=O)CSC2=C(C=CC=N2)C#N

InChI

InChI=1S/C17H19N3O2S/c1-12-9-15(13(2)20(12)7-8-22-3)16(21)11-23-17-14(10-18)5-4-6-19-17/h4-6,9H,7-8,11H2,1-3H3