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

Systemtic Name: 2-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carbonitrile Openeye Name: 2-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanylpyridine-3-carbonitrile CAS Name: 2-[[2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 2-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 2-[[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]nicotinonitrile Formula: C17H17N3OS MolecularWeight: 311.40138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=C(C=CC=N3)C#N

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=C(C=CC=N3)C#N

InChI

InChI=1S/C17H17N3OS/c1-11-8-15(12(2)20(11)14-5-6-14)16(21)10-22-17-13(9-18)4-3-7-19-17/h3-4,7-8,14H,5-6,10H2,1-2H3