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

Systemtic Name: 2-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-6-oxidanylidene-1H-pyridine-3-carbonitrile Openeye Name: 2-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]sulfanyl-4-methyl-6-oxo-1H-pyridine-3-carbonitrile CAS Name: 2-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]thio]-4-methyl-6-oxo-1H-pyridine-3-carbonitrile IUPAC Name: 2-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]sulfanyl-4-methyl-6-oxo-1H-pyridine-3-carbonitrile Traditional Name: 2-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl]thio]-6-keto-4-methyl-1H-pyridine-3-carbonitrile Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)NC(=C1C#N)SCC(=O)C2=C(C(=C(N2)C)C(=O)C)C

Isomeric SMILES

CC1=CC(=O)NC(=C1C#N)SCC(=O)C2=C(C(=C(N2)C)C(=O)C)C

InChI

InChI=1S/C17H17N3O3S/c1-8-5-14(23)20-17(12(8)6-18)24-7-13(22)16-9(2)15(11(4)21)10(3)19-16/h5,19H,7H2,1-4H3,(H,20,23)