1-(2-chloranyl-5-nitro-phenyl)-N-(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)methanimine

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-N-(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)methanimine Openeye Name: 1-(2-chloro-5-nitro-phenyl)-N-(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)methanimine CAS Name: 1-(2-chloro-5-nitrophenyl)-N-[3-(methylthio)-5-phenyl-1,2,4-triazol-4-yl]methanimine IUPAC Name: 1-(2-chloro-5-nitrophenyl)-N-(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)methanimine Traditional Name: (E)-(2-chloro-5-nitro-benzylidene)-[3-(methylthio)-5-phenyl-1,2,4-triazol-4-yl]amine Formula: C16H12ClN5O2S MolecularWeight: 373.81678

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1N=CC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=CC=CC=C3

Isomeric SMILES

CSC1=NN=C(N1/N=C/C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=CC=CC=C3

InChI

InChI=1S/C16H12ClN5O2S/c1-25-16-20-19-15(11-5-3-2-4-6-11)21(16)18-10-12-9-13(22(23)24)7-8-14(12)17/h2-10H,1H3/b18-10+