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

Systemtic Name: 5-azanylidene-6-[[1-(3,5-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: 6-[[1-(3,5-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-5-imino-2-(3-pyridyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: 6-[[1-(3,5-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-5-imino-2-(3-pyridinyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: 6-[[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: 6-[[1-(3,5-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-5-imino-2-(3-pyridyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C25H22N6OS MolecularWeight: 454.54678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=CC(=C2C)C=C3C(=N)N4C(=NC3=O)SC(=N4)C5=CN=CC=C5)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=CC(=C2C)C=C3C(=N)N4C(=NC3=O)SC(=N4)C5=CN=CC=C5)C)C

InChI

InChI=1S/C25H22N6OS/c1-14-8-15(2)10-20(9-14)30-16(3)11-19(17(30)4)12-21-22(26)31-25(28-23(21)32)33-24(29-31)18-6-5-7-27-13-18/h5-13,26H,1-4H3