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

Systemtic Name: (6E)-5-azanylidene-6-[[1-(3-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-pentyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: (6E)-6-[[1-(3-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-5-imino-2-pentyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: (6E)-6-[[1-(3-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-5-imino-2-pentyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: (6E)-6-[[1-(3-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-pentyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: (6E)-2-amyl-6-[[1-(3-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C23H24ClN5OS MolecularWeight: 453.98756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN2C(=N)C(=CC3=C(N(C(=C3)C)C4=CC(=CC=C4)Cl)C)C(=O)N=C2S1

Isomeric SMILES

CCCCCC1=NN2C(=N)/C(=C\C3=C(N(C(=C3)C)C4=CC(=CC=C4)Cl)C)/C(=O)N=C2S1

InChI

InChI=1S/C23H24ClN5OS/c1-4-5-6-10-20-27-29-21(25)19(22(30)26-23(29)31-20)12-16-11-14(2)28(15(16)3)18-9-7-8-17(24)13-18/h7-9,11-13,25H,4-6,10H2,1-3H3/b19-12+,25-21?