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

Systemtic Name: (6E)-5-azanylidene-6-[[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: (6E)-5-imino-6-[[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: (6E)-5-imino-6-[[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-2-(methylthio)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: (6E)-5-imino-6-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: (6E)-5-imino-6-[[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-2-(methylthio)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C20H19N5O2S2 MolecularWeight: 425.52716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C=C3C(=N)N4C(=NC3=O)SC(=N4)SC

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)/C=C/3\C(=N)N4C(=NC3=O)SC(=N4)SC

InChI

InChI=1S/C20H19N5O2S2/c1-11-9-13(12(2)24(11)14-5-7-15(27-3)8-6-14)10-16-17(21)25-19(22-18(16)26)29-20(23-25)28-4/h5-10,21H,1-4H3/b16-10+,21-17?