(6E)-5-azanylidene-6-[[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-propyl-[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-propyl-[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-propyl-[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-propyl-[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-propyl-[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-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN2C(=N)C(=CC3=C(N(C(=C3)C)C4=CC=C(C=C4)OC)C)C(=O)N=C2S1

Isomeric SMILES

CCCC1=NN2C(=N)/C(=C\C3=C(N(C(=C3)C)C4=CC=C(C=C4)OC)C)/C(=O)N=C2S1

InChI

InChI=1S/C22H23N5O2S/c1-5-6-19-25-27-20(23)18(21(28)24-22(27)30-19)12-15-11-13(2)26(14(15)3)16-7-9-17(29-4)10-8-16/h7-12,23H,5-6H2,1-4H3/b18-12+,23-20?