5-azanylidene-6-[[3-chloranyl-5-ethoxy-4-[(3-methylphenyl)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-[(3-methylphenyl)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-(m-tolylmethoxy)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-[(3-methylphenyl)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-[(3-methylphenyl)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-(3-methylbenzyl)oxy-benzylidene]-5-imino-2-(3-pyridyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C27H22ClN5O3S MolecularWeight: 532.01328

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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=CC(=C5)C

Isomeric SMILES

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

InChI

InChI=1S/C27H22ClN5O3S/c1-3-35-22-13-18(12-21(28)23(22)36-15-17-7-4-6-16(2)10-17)11-20-24(29)33-27(31-25(20)34)37-26(32-33)19-8-5-9-30-14-19/h4-14,29H,3,15H2,1-2H3