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

Systemtic Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-4-(4-pyridin-2-ylpiperazin-1-yl)butanenitrile Openeye Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4-[4-(2-pyridyl)piperazin-1-yl]butanenitrile CAS Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4-[4-(2-pyridinyl)-1-piperazinyl]butanenitrile IUPAC Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanenitrile Traditional Name: (2Z)-3-keto-2-(3-methyl-1,3-benzothiazol-2-ylidene)-4-[4-(2-pyridyl)piperazino]butyronitrile Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5OS/c1-24-17-6-2-3-7-19(17)28-21(24)16(14-22)18(27)15-25-10-12-26(13-11-25)20-8-4-5-9-23-20/h2-9H,10-13,15H2,1H3/b21-16-