2-[[5-cyano-6-(9-ethylcarbazol-3-yl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[5-cyano-6-(9-ethylcarbazol-3-yl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-cyano-6-(9-ethylcarbazol-3-yl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide CAS Name: 2-[[5-cyano-6-(9-ethyl-3-carbazolyl)-4-oxo-1H-pyrimidin-2-yl]thio]acetamide IUPAC Name: 2-[[5-cyano-6-(9-ethylcarbazol-3-yl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: 2-[[5-cyano-6-(9-ethylcarbazol-3-yl)-4-keto-1H-pyrimidin-2-yl]thio]acetamide Formula: C21H17N5O2S MolecularWeight: 403.45698

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C3=C(C(=O)N=C(N3)SCC(=O)N)C#N)C4=CC=CC=C41

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C3=C(C(=O)N=C(N3)SCC(=O)N)C#N)C4=CC=CC=C41

InChI

InChI=1S/C21H17N5O2S/c1-2-26-16-6-4-3-5-13(16)14-9-12(7-8-17(14)26)19-15(10-22)20(28)25-21(24-19)29-11-18(23)27/h3-9H,2,11H2,1H3,(H2,23,27)(H,24,25,28)