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

Systemtic Name: (6E)-5-azanylidene-6-[[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-[(3-methylphenoxy)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: (6E)-6-[[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-5-imino-2-[(3-methylphenoxy)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: (6E)-6-[[1-(3,4-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-5-imino-2-[(3-methylphenoxy)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: (6E)-6-[[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-[(3-methylphenoxy)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: (6E)-6-[[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-5-imino-2-[(3-methylphenoxy)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C28H27N5O2S MolecularWeight: 497.61128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC2=NN3C(=N)C(=CC4=C(N(C(=C4)C)C5=CC(=C(C=C5)C)C)C)C(=O)N=C3S2

Isomeric SMILES

CC1=CC(=CC=C1)OCC2=NN3C(=N)/C(=C\C4=C(N(C(=C4)C)C5=CC(=C(C=C5)C)C)C)/C(=O)N=C3S2

InChI

InChI=1S/C28H27N5O2S/c1-16-7-6-8-23(11-16)35-15-25-31-33-26(29)24(27(34)30-28(33)36-25)14-21-13-19(4)32(20(21)5)22-10-9-17(2)18(3)12-22/h6-14,29H,15H2,1-5H3/b24-14+,29-26?