2-[[4-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-[4-(2-nitrophenyl)thiazol-2-yl]-1-piperidyl]methyl]benzonitrile CAS Name: 2-[[4-[4-(2-nitrophenyl)-2-thiazolyl]-1-piperidinyl]methyl]benzonitrile IUPAC Name: 2-[[4-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]benzonitrile Traditional Name: 2-[[4-[4-(2-nitrophenyl)thiazol-2-yl]piperidino]methyl]benzonitrile Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC(=CS2)C3=CC=CC=C3[N+](=O)[O-])CC4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCC1C2=NC(=CS2)C3=CC=CC=C3[N+](=O)[O-])CC4=CC=CC=C4C#N

InChI

InChI=1S/C22H20N4O2S/c23-13-17-5-1-2-6-18(17)14-25-11-9-16(10-12-25)22-24-20(15-29-22)19-7-3-4-8-21(19)26(27)28/h1-8,15-16H,9-12,14H2