4-nitro-5-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]benzene-1,2-dicarbonitrile

Systemtic Name: 4-nitro-5-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]benzene-1,2-dicarbonitrile Openeye Name: 4-nitro-5-[4-(4-phenylthiazol-2-yl)piperazin-1-yl]phthalonitrile CAS Name: 4-nitro-5-[4-(4-phenyl-2-thiazolyl)-1-piperazinyl]benzene-1,2-dicarbonitrile IUPAC Name: 4-nitro-5-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]benzene-1,2-dicarbonitrile Traditional Name: 4-nitro-5-[4-(4-phenylthiazol-2-yl)piperazino]phthalonitrile Formula: C21H16N6O2S MolecularWeight: 416.45574

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C(=C2)C#N)C#N)[N+](=O)[O-])C3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C(=C2)C#N)C#N)[N+](=O)[O-])C3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H16N6O2S/c22-12-16-10-19(20(27(28)29)11-17(16)13-23)25-6-8-26(9-7-25)21-24-18(14-30-21)15-4-2-1-3-5-15/h1-5,10-11,14H,6-9H2