(6E)-5-azanylidene-6-[[1-(2,6-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-ethyl-[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-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: (6E)-6-[[1-(2,6-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-2-ethyl-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]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: (6E)-6-[[1-(2,6-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: (6E)-6-[[1-(2,6-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN2C(=N)C(=CC3=C(N(C(=C3)C)C4=C(C=CC=C4C)C)C)C(=O)N=C2S1

Isomeric SMILES

CCC1=NN2C(=N)/C(=C\C3=C(N(C(=C3)C)C4=C(C=CC=C4C)C)C)/C(=O)N=C2S1

InChI

InChI=1S/C22H23N5OS/c1-6-18-25-27-20(23)17(21(28)24-22(27)29-18)11-16-10-14(4)26(15(16)5)19-12(2)8-7-9-13(19)3/h7-11,23H,6H2,1-5H3/b17-11+,23-20?