[4-[(5-azanylidene-7-oxidanylidene-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-2-ethoxy-phenyl] 4-fluoranylbenzoate

Systemtic Name: [4-[(5-azanylidene-7-oxidanylidene-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-2-ethoxy-phenyl] 4-fluoranylbenzoate Openeye Name: [2-ethoxy-4-[[5-imino-7-oxo-2-(3-pyridyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [2-ethoxy-4-[[5-imino-7-oxo-2-(3-pyridinyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] ester IUPAC Name: [2-ethoxy-4-[(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [2-ethoxy-4-[[5-imino-7-keto-2-(3-pyridyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] ester Formula: C26H18FN5O4S MolecularWeight: 515.515623

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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)OC(=O)C5=CC=C(C=C5)F

Isomeric SMILES

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

InChI

InChI=1S/C26H18FN5O4S/c1-2-35-21-13-15(5-10-20(21)36-25(34)16-6-8-18(27)9-7-16)12-19-22(28)32-26(30-23(19)33)37-24(31-32)17-4-3-11-29-14-17/h3-14,28H,2H2,1H3