N-[3-(4-chlorophenyl)-5-ethylsulfanyl-1,2,4-triazol-4-yl]-1-(3-nitrophenyl)methanimine

Systemtic Name: N-[3-(4-chlorophenyl)-5-ethylsulfanyl-1,2,4-triazol-4-yl]-1-(3-nitrophenyl)methanimine Openeye Name: N-[3-(4-chlorophenyl)-5-ethylsulfanyl-1,2,4-triazol-4-yl]-1-(3-nitrophenyl)methanimine CAS Name: N-[3-(4-chlorophenyl)-5-(ethylthio)-1,2,4-triazol-4-yl]-1-(3-nitrophenyl)methanimine IUPAC Name: N-[3-(4-chlorophenyl)-5-ethylsulfanyl-1,2,4-triazol-4-yl]-1-(3-nitrophenyl)methanimine Traditional Name: [3-(4-chlorophenyl)-5-(ethylthio)-1,2,4-triazol-4-yl]-(3-nitrobenzylidene)amine Formula: C17H14ClN5O2S MolecularWeight: 387.84336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1N=CC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)Cl

Isomeric SMILES

CCSC1=NN=C(N1N=CC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H14ClN5O2S/c1-2-26-17-21-20-16(13-6-8-14(18)9-7-13)22(17)19-11-12-4-3-5-15(10-12)23(24)25/h3-11H,2H2,1H3