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

Systemtic Name: (6E)-5-azanylidene-6-[[1-(2-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-(3-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: (6E)-6-[[1-(2-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-5-imino-2-(m-tolyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: (6E)-6-[[1-(2-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-5-imino-2-(3-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: (6E)-6-[[1-(2-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-(3-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: (6E)-6-[[1-(2-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-5-imino-2-(m-tolyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C25H20ClN5OS MolecularWeight: 473.9772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN3C(=N)C(=CC4=C(N(C(=C4)C)C5=CC=CC=C5Cl)C)C(=O)N=C3S2

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN3C(=N)/C(=C\C4=C(N(C(=C4)C)C5=CC=CC=C5Cl)C)/C(=O)N=C3S2

InChI

InChI=1S/C25H20ClN5OS/c1-14-7-6-8-17(11-14)24-29-31-22(27)19(23(32)28-25(31)33-24)13-18-12-15(2)30(16(18)3)21-10-5-4-9-20(21)26/h4-13,27H,1-3H3/b19-13+,27-22?