1-(5-nitro-2-piperidin-1-yl-phenyl)-N-[3-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]methanimine

Systemtic Name: 1-(5-nitro-2-piperidin-1-yl-phenyl)-N-[3-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]methanimine Openeye Name: N-(3-benzylsulfanyl-1,2,4-triazol-4-yl)-1-[5-nitro-2-(1-piperidyl)phenyl]methanimine CAS Name: 1-[5-nitro-2-(1-piperidinyl)phenyl]-N-[3-(phenylmethylthio)-1,2,4-triazol-4-yl]methanimine IUPAC Name: N-(3-benzylsulfanyl-1,2,4-triazol-4-yl)-1-(5-nitro-2-piperidin-1-ylphenyl)methanimine Traditional Name: [3-(benzylthio)-1,2,4-triazol-4-yl]-(5-nitro-2-piperidino-benzylidene)amine Formula: C21H22N6O2S MolecularWeight: 422.50338

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C=NN3C=NN=C3SCC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C=NN3C=NN=C3SCC4=CC=CC=C4

InChI

InChI=1S/C21H22N6O2S/c28-27(29)19-9-10-20(25-11-5-2-6-12-25)18(13-19)14-23-26-16-22-24-21(26)30-15-17-7-3-1-4-8-17/h1,3-4,7-10,13-14,16H,2,5-6,11-12,15H2