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

Systemtic Name: 5-ethanoyl-2-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyridine-3-carbonitrile Openeye Name: 5-acetyl-2-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]sulfanyl-6-phenyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-2-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]thio]-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-2-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]sulfanyl-6-phenylpyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl]thio]-6-phenyl-nicotinonitrile Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NC(=C(C=C2C#N)C(=O)C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NC(=C(C=C2C#N)C(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C24H21N3O3S/c1-13-21(16(4)29)14(2)26-22(13)20(30)12-31-24-18(11-25)10-19(15(3)28)23(27-24)17-8-6-5-7-9-17/h5-10,26H,12H2,1-4H3