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

Systemtic Name: 5-azanylidene-6-[[3-chloranyl-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: 6-[[3-chloro-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylene]-5-imino-2-(3-pyridyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: 6-[[3-chloro-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylidene]-5-imino-2-(3-pyridinyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: 6-[[3-chloro-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: 6-[3-chloro-4-[2-(4-methoxyphenoxy)ethoxy]benzylidene]-5-imino-2-(3-pyridyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C26H20ClN5O4S MolecularWeight: 533.9861

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCOC2=C(C=C(C=C2)C=C3C(=N)N4C(=NC3=O)SC(=N4)C5=CN=CC=C5)Cl

Isomeric SMILES

COC1=CC=C(C=C1)OCCOC2=C(C=C(C=C2)C=C3C(=N)N4C(=NC3=O)SC(=N4)C5=CN=CC=C5)Cl

InChI

InChI=1S/C26H20ClN5O4S/c1-34-18-5-7-19(8-6-18)35-11-12-36-22-9-4-16(14-21(22)27)13-20-23(28)32-26(30-24(20)33)37-25(31-32)17-3-2-10-29-15-17/h2-10,13-15,28H,11-12H2,1H3