2-[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanylpyridine-3-carbonitrile

Systemtic Name: 2-[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanylpyridine-3-carbonitrile Openeye Name: 2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanylpyridine-3-carbonitrile CAS Name: 2-[[2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]thio]nicotinonitrile Formula: C15H15N3OS MolecularWeight: 285.3641

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)CSC2=C(C=CC=N2)C#N

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)CSC2=C(C=CC=N2)C#N

InChI

InChI=1S/C15H15N3OS/c1-10-7-13(11(2)18(10)3)14(19)9-20-15-12(8-16)5-4-6-17-15/h4-7H,9H2,1-3H3