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

Systemtic Name: (6Z)-5-azanylidene-6-[[3-chloranyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2-[(2-methylphenoxy)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: (6Z)-6-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylene]-5-imino-2-[(2-methylphenoxy)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: (6Z)-6-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-5-imino-2-[(2-methylphenoxy)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: (6Z)-6-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-5-imino-2-[(2-methylphenoxy)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: (6Z)-6-[3-chloro-5-ethoxy-4-(4-fluorobenzyl)oxy-benzylidene]-5-imino-2-[(2-methylphenoxy)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C29H24ClFN4O4S MolecularWeight: 579.041663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=N)N3C(=NC2=O)SC(=N3)COC4=CC=CC=C4C)Cl)OCC5=CC=C(C=C5)F

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C\2/C(=N)N3C(=NC2=O)SC(=N3)COC4=CC=CC=C4C)Cl)OCC5=CC=C(C=C5)F

InChI

InChI=1S/C29H24ClFN4O4S/c1-3-37-24-14-19(13-22(30)26(24)39-15-18-8-10-20(31)11-9-18)12-21-27(32)35-29(33-28(21)36)40-25(34-35)16-38-23-7-5-4-6-17(23)2/h4-14,32H,3,15-16H2,1-2H3/b21-12-,32-27?