5-azanylidene-6-[[1-(2-ethoxyphenyl)-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-(2-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-(3-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: 6-[[1-(2-ethoxyphenyl)-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-(2-ethoxyphenyl)-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-(2-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-(3-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: 6-[(2,5-dimethyl-1-o-phenetyl-pyrrol-3-yl)methylene]-5-imino-2-(m-tolyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C27H25N5O2S MolecularWeight: 483.5847

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=CC(=C2C)C=C3C(=N)N4C(=NC3=O)SC(=N4)C5=CC(=CC=C5)C)C

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=CC(=C2C)C=C3C(=N)N4C(=NC3=O)SC(=N4)C5=CC(=CC=C5)C)C

InChI

InChI=1S/C27H25N5O2S/c1-5-34-23-12-7-6-11-22(23)31-17(3)14-20(18(31)4)15-21-24(28)32-27(29-25(21)33)35-26(30-32)19-10-8-9-16(2)13-19/h6-15,28H,5H2,1-4H3