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

Systemtic Name: (6E)-5-azanylidene-6-[[1-(2,6-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-(phenylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: (6E)-2-benzyl-6-[[1-(2,6-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: (6E)-6-[[1-(2,6-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-5-imino-2-(phenylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: (6E)-2-benzyl-6-[[1-(2,6-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: (6E)-2-benzyl-6-[[1-(2,6-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-5-imino-[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(=CC=C1)C)N2C(=CC(=C2C)C=C3C(=N)N4C(=NC3=O)SC(=N4)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=CC(=C2C)/C=C/3\C(=N)N4C(=NC3=O)SC(=N4)CC5=CC=CC=C5)C

InChI

InChI=1S/C27H25N5OS/c1-16-9-8-10-17(2)24(16)31-18(3)13-21(19(31)4)15-22-25(28)32-27(29-26(22)33)34-23(30-32)14-20-11-6-5-7-12-20/h5-13,15,28H,14H2,1-4H3/b22-15+,28-25?