5-azanylidene-6-[[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-(3-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Systemtic Name: 5-azanylidene-6-[[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-(3-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: 6-[[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-5-imino-2-(m-tolyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: 6-[[1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-5-imino-2-(3-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: 6-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-(3-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: 6-[[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-5-imino-2-(m-tolyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C25H20FN5OS MolecularWeight: 457.522603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN3C(=N)C(=CC4=C(N(C(=C4)C)C5=CC=C(C=C5)F)C)C(=O)N=C3S2

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN3C(=N)C(=CC4=C(N(C(=C4)C)C5=CC=C(C=C5)F)C)C(=O)N=C3S2

InChI

InChI=1S/C25H20FN5OS/c1-14-5-4-6-17(11-14)24-29-31-22(27)21(23(32)28-25(31)33-24)13-18-12-15(2)30(16(18)3)20-9-7-19(26)8-10-20/h4-13,27H,1-3H3