2-[(3-ethyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[(3-ethyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)thio]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[(3-ethyl-4-keto-5H-pyrimid[5,4-b]indol-2-yl)thio]-N-(4-fluorophenyl)acetamide Formula: C20H17FN4O2S MolecularWeight: 396.437983

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C20H17FN4O2S/c1-2-25-19(27)18-17(14-5-3-4-6-15(14)23-18)24-20(25)28-11-16(26)22-13-9-7-12(21)8-10-13/h3-10,23H,2,11H2,1H3,(H,22,26)