4-[[4-(5-nitrothiophen-3-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(5-nitrothiophen-3-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(5-nitrothiophene-3-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(5-nitro-3-thiophenyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(5-nitrothiophene-3-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(5-nitrothiophene-3-carbonyl)piperazino]methyl]benzonitrile Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CSC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CSC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O3S/c18-10-13-1-3-14(4-2-13)11-19-5-7-20(8-6-19)17(22)15-9-16(21(23)24)25-12-15/h1-4,9,12H,5-8,11H2