2-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)CSC2=C(C(=CC(=N2)C)C)C#N)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)CSC2=C(C(=CC(=N2)C)C)C#N)C

InChI

InChI=1S/C18H21N3OS/c1-6-21-13(4)8-15(14(21)5)17(22)10-23-18-16(9-19)11(2)7-12(3)20-18/h7-8H,6,10H2,1-5H3