5-azanylidene-6-[[3-chloranyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Systemtic Name: 5-azanylidene-6-[[3-chloranyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: 6-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylene]-5-imino-2-(3-pyridyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: 6-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-5-imino-2-(3-pyridinyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: 6-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: 6-[3-chloro-5-ethoxy-4-(4-fluorobenzyl)oxy-benzylidene]-5-imino-2-(3-pyridyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C26H19ClFN5O3S MolecularWeight: 535.977163

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=N)N3C(=NC2=O)SC(=N3)C4=CN=CC=C4)Cl)OCC5=CC=C(C=C5)F

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=N)N3C(=NC2=O)SC(=N3)C4=CN=CC=C4)Cl)OCC5=CC=C(C=C5)F

InChI

InChI=1S/C26H19ClFN5O3S/c1-2-35-21-12-16(11-20(27)22(21)36-14-15-5-7-18(28)8-6-15)10-19-23(29)33-26(31-24(19)34)37-25(32-33)17-4-3-9-30-13-17/h3-13,29H,2,14H2,1H3