(6Z)-5-azanylidene-2-butyl-6-[[1-(3,4-dichlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Systemtic Name: (6Z)-5-azanylidene-2-butyl-6-[[1-(3,4-dichlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: (6Z)-2-butyl-6-[[1-(3,4-dichlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: (6Z)-2-butyl-6-[[1-(3,4-dichlorophenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: (6Z)-2-butyl-6-[[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: (6Z)-2-butyl-6-[[1-(3,4-dichlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C22H21Cl2N5OS MolecularWeight: 474.40604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN2C(=N)C(=CC3=C(N(C(=C3)C)C4=CC(=C(C=C4)Cl)Cl)C)C(=O)N=C2S1

Isomeric SMILES

CCCCC1=NN2C(=N)/C(=C/C3=C(N(C(=C3)C)C4=CC(=C(C=C4)Cl)Cl)C)/C(=O)N=C2S1

InChI

InChI=1S/C22H21Cl2N5OS/c1-4-5-6-19-27-29-20(25)16(21(30)26-22(29)31-19)10-14-9-12(2)28(13(14)3)15-7-8-17(23)18(24)11-15/h7-11,25H,4-6H2,1-3H3/b16-10-,25-20?