5-azanylidene-6-[[4-[3-(4-chloranylphenoxy)propoxy]phenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Systemtic Name: 5-azanylidene-6-[[4-[3-(4-chloranylphenoxy)propoxy]phenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: 6-[[4-[3-(4-chlorophenoxy)propoxy]phenyl]methylene]-5-imino-2-(3-pyridyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: 6-[[4-[3-(4-chlorophenoxy)propoxy]phenyl]methylidene]-5-imino-2-(3-pyridinyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: 6-[[4-[3-(4-chlorophenoxy)propoxy]phenyl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: 6-[4-[3-(4-chlorophenoxy)propoxy]benzylidene]-5-imino-2-(3-pyridyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C26H20ClN5O3S MolecularWeight: 517.9867

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NN3C(=N)C(=CC4=CC=C(C=C4)OCCCOC5=CC=C(C=C5)Cl)C(=O)N=C3S2

Isomeric SMILES

C1=CC(=CN=C1)C2=NN3C(=N)C(=CC4=CC=C(C=C4)OCCCOC5=CC=C(C=C5)Cl)C(=O)N=C3S2

InChI

InChI=1S/C26H20ClN5O3S/c27-19-6-10-21(11-7-19)35-14-2-13-34-20-8-4-17(5-9-20)15-22-23(28)32-26(30-24(22)33)36-25(31-32)18-3-1-12-29-16-18/h1,3-12,15-16,28H,2,13-14H2