5-azanylidene-6-[[1-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-(3-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: 6-[[1-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-5-imino-2-(m-tolyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C27H25N5OS MolecularWeight: 467.5853

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N5OS/c1-15-7-6-8-20(11-15)26-30-32-24(28)23(25(33)29-27(32)34-26)14-21-13-18(4)31(19(21)5)22-10-9-16(2)17(3)12-22/h6-14,28H,1-5H3