(6E)-5-azanylidene-6-[(3-chloranyl-5-methyl-1-phenyl-pyrazol-4-yl)methylidene]-2-(4-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Systemtic Name: (6E)-5-azanylidene-6-[(3-chloranyl-5-methyl-1-phenyl-pyrazol-4-yl)methylidene]-2-(4-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: (6E)-6-[(3-chloro-5-methyl-1-phenyl-pyrazol-4-yl)methylene]-5-imino-2-(p-tolyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: (6E)-6-[(3-chloro-5-methyl-1-phenyl-4-pyrazolyl)methylidene]-5-imino-2-(4-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: (6E)-6-[(3-chloro-5-methyl-1-phenylpyrazol-4-yl)methylidene]-5-imino-2-(4-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: (6E)-6-[(3-chloro-5-methyl-1-phenyl-pyrazol-4-yl)methylene]-5-imino-2-(p-tolyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C23H17ClN6OS MolecularWeight: 460.93868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN3C(=N)C(=CC4=C(N(N=C4Cl)C5=CC=CC=C5)C)C(=O)N=C3S2

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN3C(=N)/C(=C\C4=C(N(N=C4Cl)C5=CC=CC=C5)C)/C(=O)N=C3S2

InChI

InChI=1S/C23H17ClN6OS/c1-13-8-10-15(11-9-13)22-28-30-20(25)18(21(31)26-23(30)32-22)12-17-14(2)29(27-19(17)24)16-6-4-3-5-7-16/h3-12,25H,1-2H3/b18-12+,25-20?