5-azanylidene-6-[[1-(3-methoxyphenyl)-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-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: 5-imino-6-[[1-(3-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-2-(3-pyridyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: 5-imino-6-[[1-(3-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-2-(3-pyridinyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: 5-imino-6-[[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: 5-imino-6-[[1-(3-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-2-(3-pyridyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C24H20N6O2S MolecularWeight: 456.5196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20N6O2S/c1-14-10-17(15(2)29(14)18-7-4-8-19(12-18)32-3)11-20-21(25)30-24(27-22(20)31)33-23(28-30)16-6-5-9-26-13-16/h4-13,25H,1-3H3