5-nitro-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]benzenecarbonitrile Openeye Name: 5-nitro-2-[4-(2-thienylmethyl)piperazin-1-yl]benzonitrile CAS Name: 5-nitro-2-[4-(thiophen-2-ylmethyl)-1-piperazinyl]benzonitrile IUPAC Name: 5-nitro-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]benzonitrile Traditional Name: 5-nitro-2-[4-(2-thenyl)piperazino]benzonitrile Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CS2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1CN(CCN1CC2=CC=CS2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H16N4O2S/c17-11-13-10-14(20(21)22)3-4-16(13)19-7-5-18(6-8-19)12-15-2-1-9-23-15/h1-4,9-10H,5-8,12H2