N-(1-adamantyl)-2-[(8-fluoranyl-5H-pyridazino[4,5-b]indol-4-yl)sulfanyl]ethanamide

Systemtic Name: N-(1-adamantyl)-2-[(8-fluoranyl-5H-pyridazino[4,5-b]indol-4-yl)sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[(8-fluoro-5H-pyridazino[4,5-b]indol-4-yl)sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[(8-fluoro-5H-pyridazino[4,5-b]indol-4-yl)thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[(8-fluoro-5H-pyridazino[4,5-b]indol-4-yl)sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[(8-fluoro-5H-pyridazin[4,5-b]indol-4-yl)thio]acetamide Formula: C22H23FN4OS MolecularWeight: 410.507623

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=C5C(=CN=N4)C6=C(N5)C=CC(=C6)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=C5C(=CN=N4)C6=C(N5)C=CC(=C6)F

InChI

InChI=1S/C22H23FN4OS/c23-15-1-2-18-16(6-15)17-10-24-27-21(20(17)25-18)29-11-19(28)26-22-7-12-3-13(8-22)5-14(4-12)9-22/h1-2,6,10,12-14,25H,3-5,7-9,11H2,(H,26,28)