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

Systemtic Name: 5-azanylidene-6-[[2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]methylidene]-2-(furan-2-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: 2-(2-furyl)-5-imino-6-[[1-(4-isopropylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: 6-[[2,5-dimethyl-1-(4-propan-2-ylphenyl)-3-pyrrolyl]methylidene]-2-(2-furanyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: 6-[[2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]methylidene]-2-(furan-2-yl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: 6-[(2,5-dimethyl-1-p-cumenyl-pyrrol-3-yl)methylene]-2-(2-furyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C25H23N5O2S MolecularWeight: 457.54742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(C)C)C)C=C3C(=N)N4C(=NC3=O)SC(=N4)C5=CC=CO5

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(C)C)C)C=C3C(=N)N4C(=NC3=O)SC(=N4)C5=CC=CO5

InChI

InChI=1S/C25H23N5O2S/c1-14(2)17-7-9-19(10-8-17)29-15(3)12-18(16(29)4)13-20-22(26)30-25(27-23(20)31)33-24(28-30)21-6-5-11-32-21/h5-14,26H,1-4H3