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

Systemtic Name: 2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-6-oxidanylidene-1H-pyridine-3-carbonitrile Openeye Name: 2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-4-methyl-6-oxo-1H-pyridine-3-carbonitrile CAS Name: 2-[[2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-oxoethyl]thio]-4-methyl-6-oxo-1H-pyridine-3-carbonitrile IUPAC Name: 2-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]sulfanyl-4-methyl-6-oxo-1H-pyridine-3-carbonitrile Traditional Name: 2-[[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-keto-ethyl]thio]-6-keto-4-methyl-1H-pyridine-3-carbonitrile Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)NC(=C1C#N)SCC(=O)C2=C(N(C(=C2)C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=O)NC(=C1C#N)SCC(=O)C2=C(N(C(=C2)C)C3=CC=CC=C3)C

InChI

InChI=1S/C21H19N3O2S/c1-13-9-20(26)23-21(18(13)11-22)27-12-19(25)17-10-14(2)24(15(17)3)16-7-5-4-6-8-16/h4-10H,12H2,1-3H3,(H,23,26)