[4-[(Z)-[5-azanylidene-2-(2-methylpropyl)-7-oxidanylidene-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]-2-methoxy-phenyl] 4-fluoranylbenzoate

Systemtic Name: [4-[(Z)-[5-azanylidene-2-(2-methylpropyl)-7-oxidanylidene-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]-2-methoxy-phenyl] 4-fluoranylbenzoate Openeye Name: [4-[(Z)-(5-imino-2-isobutyl-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-2-methoxy-phenyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [4-[(Z)-[5-imino-2-(2-methylpropyl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(Z)-[5-imino-2-(2-methylpropyl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]-2-methoxyphenyl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [4-[(Z)-(5-imino-2-isobutyl-7-keto-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-2-methoxy-phenyl] ester Formula: C24H21FN4O4S MolecularWeight: 480.511343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN2C(=N)C(=CC3=CC(=C(C=C3)OC(=O)C4=CC=C(C=C4)F)OC)C(=O)N=C2S1

Isomeric SMILES

CC(C)CC1=NN2C(=N)/C(=C/C3=CC(=C(C=C3)OC(=O)C4=CC=C(C=C4)F)OC)/C(=O)N=C2S1

InChI

InChI=1S/C24H21FN4O4S/c1-13(2)10-20-28-29-21(26)17(22(30)27-24(29)34-20)11-14-4-9-18(19(12-14)32-3)33-23(31)15-5-7-16(25)8-6-15/h4-9,11-13,26H,10H2,1-3H3/b17-11-,26-21?