(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-4-(4-pyrimidin-2-ylpiperazin-1-yl)butanenitrile

Systemtic Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-4-(4-pyrimidin-2-ylpiperazin-1-yl)butanenitrile Openeye Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butanenitrile CAS Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4-[4-(2-pyrimidinyl)-1-piperazinyl]butanenitrile IUPAC Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butanenitrile Traditional Name: (2Z)-3-keto-2-(3-methyl-1,3-benzothiazol-2-ylidene)-4-[4-(2-pyrimidyl)piperazino]butyronitrile Formula: C20H20N6OS MolecularWeight: 392.4774

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=C(C#N)C(=O)CN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=C(/C#N)\C(=O)CN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H20N6OS/c1-24-16-5-2-3-6-18(16)28-19(24)15(13-21)17(27)14-25-9-11-26(12-10-25)20-22-7-4-8-23-20/h2-8H,9-12,14H2,1H3/b19-15-