1-[5-bromanyl-2-(3-chloranylpyridin-2-yl)pyrazol-3-yl]carbonyl-7-methyl-3-propan-2-ylimino-2,1-benzothiazole-5-carbonitrile

Systemtic Name: 1-[5-bromanyl-2-(3-chloranylpyridin-2-yl)pyrazol-3-yl]carbonyl-7-methyl-3-propan-2-ylimino-2,1-benzothiazole-5-carbonitrile Openeye Name: 1-[5-bromo-2-(3-chloro-2-pyridyl)pyrazole-3-carbonyl]-3-isopropylimino-7-methyl-2,1-benzothiazole-5-carbonitrile CAS Name: 1-[[5-bromo-2-(3-chloro-2-pyridinyl)-3-pyrazolyl]-oxomethyl]-7-methyl-3-propan-2-ylimino-2,1-benzothiazole-5-carbonitrile IUPAC Name: 1-[5-bromo-2-(3-chloropyridin-2-yl)pyrazole-3-carbonyl]-7-methyl-3-propan-2-ylimino-2,1-benzothiazole-5-carbonitrile Traditional Name: 1-[5-bromo-2-(3-chloro-2-pyridyl)pyrazole-3-carbonyl]-3-isopropylimino-7-methyl-2,1-benzothiazole-5-carbonitrile Formula: C21H16BrClN6OS MolecularWeight: 515.81334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1N(SC2=NC(C)C)C(=O)C3=CC(=NN3C4=C(C=CC=N4)Cl)Br)C#N

Isomeric SMILES

CC1=CC(=CC2=C1N(SC2=NC(C)C)C(=O)C3=CC(=NN3C4=C(C=CC=N4)Cl)Br)C#N

InChI

InChI=1S/C21H16BrClN6OS/c1-11(2)26-20-14-8-13(10-24)7-12(3)18(14)29(31-20)21(30)16-9-17(22)27-28(16)19-15(23)5-4-6-25-19/h4-9,11H,1-3H3