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

Systemtic Name: N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-1-(5-nitro-2-piperidin-1-yl-phenyl)methanimine Openeye Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-1-[5-nitro-2-(1-piperidyl)phenyl]methanimine CAS Name: N-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-1-[5-nitro-2-(1-piperidinyl)phenyl]methanimine IUPAC Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-1-(5-nitro-2-piperidin-1-ylphenyl)methanimine Traditional Name: [3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-(5-nitro-2-piperidino-benzylidene)amine Formula: C22H24N6O2S MolecularWeight: 436.52996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N=CC2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3)SCC4=CC=CC=C4

Isomeric SMILES

CC1=NN=C(N1N=CC2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3)SCC4=CC=CC=C4

InChI

InChI=1S/C22H24N6O2S/c1-17-24-25-22(31-16-18-8-4-2-5-9-18)27(17)23-15-19-14-20(28(29)30)10-11-21(19)26-12-6-3-7-13-26/h2,4-5,8-11,14-15H,3,6-7,12-13,16H2,1H3