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

Systemtic Name: 5-nitro-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]benzenecarbonitrile Openeye Name: 5-nitro-2-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-1-yl]benzonitrile CAS Name: 5-nitro-2-[4-[(2-phenyl-4-thiazolyl)methyl]-1-piperazinyl]benzonitrile IUPAC Name: 5-nitro-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]benzonitrile Traditional Name: 5-nitro-2-[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)[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

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