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

Systemtic Name: 2-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carbonitrile Openeye Name: 2-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanylpyridine-3-carbonitrile CAS Name: 2-[[2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 2-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 2-[[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]nicotinonitrile Formula: C16H17N3OS MolecularWeight: 299.39068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3OS/c1-4-19-11(2)8-14(12(19)3)15(20)10-21-16-13(9-17)6-5-7-18-16/h5-8H,4,10H2,1-3H3