(6E)-5-azanylidene-6-[[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-heptyl-[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-heptyl-[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]-2-heptyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: (6E)-6-[[1-(3,4-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-2-heptyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: (6E)-6-[[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-heptyl-5-imino-[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]-2-heptyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C27H33N5OS MolecularWeight: 475.64882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NN2C(=N)C(=CC3=C(N(C(=C3)C)C4=CC(=C(C=C4)C)C)C)C(=O)N=C2S1

Isomeric SMILES

CCCCCCCC1=NN2C(=N)/C(=C\C3=C(N(C(=C3)C)C4=CC(=C(C=C4)C)C)C)/C(=O)N=C2S1

InChI

InChI=1S/C27H33N5OS/c1-6-7-8-9-10-11-24-30-32-25(28)23(26(33)29-27(32)34-24)16-21-15-19(4)31(20(21)5)22-13-12-17(2)18(3)14-22/h12-16,28H,6-11H2,1-5H3/b23-16+,28-25?