1-[4-nitro-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]phenyl]piperidine

Systemtic Name: 1-[4-nitro-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]phenyl]piperidine Openeye Name: 1-[4-nitro-3-(1-phenyltetrazol-5-yl)sulfanyl-phenyl]piperidine CAS Name: 1-[4-nitro-3-[(1-phenyl-5-tetrazolyl)thio]phenyl]piperidine IUPAC Name: 1-[4-nitro-3-(1-phenyltetrazol-5-yl)sulfanylphenyl]piperidine Traditional Name: 1-[4-nitro-3-[(1-phenyltetrazol-5-yl)thio]phenyl]piperidine Formula: C18H18N6O2S MolecularWeight: 382.43952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C18H18N6O2S/c25-24(26)16-10-9-15(22-11-5-2-6-12-22)13-17(16)27-18-19-20-21-23(18)14-7-3-1-4-8-14/h1,3-4,7-10,13H,2,5-6,11-12H2