2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxidanylidene-4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-butanenitrile

Systemtic Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxidanylidene-4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-butanenitrile Openeye Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-butanenitrile CAS Name: 2-(1,3-dimethyl-2-benzimidazolylidene)-3-oxo-4-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]butanenitrile IUPAC Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylbutanenitrile Traditional Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-keto-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]butyronitrile Formula: C24H19N7OS MolecularWeight: 453.51896

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5)C

InChI

InChI=1S/C24H19N7OS/c1-29-19-10-6-7-11-20(19)30(2)24(29)17(12-25)21(32)14-33-23-18-13-28-31(22(18)26-15-27-23)16-8-4-3-5-9-16/h3-11,13,15H,14H2,1-2H3