3-nitro-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)benzenecarbonitrile

Systemtic Name: 3-nitro-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)benzenecarbonitrile Openeye Name: 3-nitro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzonitrile CAS Name: 3-nitro-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]benzonitrile IUPAC Name: 3-nitro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzonitrile Traditional Name: 3-nitro-4-[4-(2-thenoyl)piperazino]benzonitrile Formula: C16H14N4O3S MolecularWeight: 342.37236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O3S/c17-11-12-3-4-13(14(10-12)20(22)23)18-5-7-19(8-6-18)16(21)15-2-1-9-24-15/h1-4,9-10H,5-8H2