3-nitro-4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 3-nitro-4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]benzenecarbonitrile Openeye Name: 3-nitro-4-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-1-yl]benzonitrile CAS Name: 3-nitro-4-[4-[(2-phenyl-4-thiazolyl)methyl]-1-piperazinyl]benzonitrile IUPAC Name: 3-nitro-4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]benzonitrile Traditional Name: 3-nitro-4-[4-[(2-phenylthiazol-4-yl)methyl]piperazino]benzonitrile Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC(=N2)C3=CC=CC=C3)C4=C(C=C(C=C4)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CSC(=N2)C3=CC=CC=C3)C4=C(C=C(C=C4)C#N)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O2S/c22-13-16-6-7-19(20(12-16)26(27)28)25-10-8-24(9-11-25)14-18-15-29-21(23-18)17-4-2-1-3-5-17/h1-7,12,15H,8-11,14H2