4-[(2-chloranyl-4-nitro-phenyl)diazenyl]-N-ethyl-N-(2-pyridin-1-ium-1-ylethyl)aniline thiocyanate

Systemtic Name: 4-[(2-chloranyl-4-nitro-phenyl)diazenyl]-N-ethyl-N-(2-pyridin-1-ium-1-ylethyl)aniline thiocyanate Openeye Name: 4-(2-chloro-4-nitro-phenyl)azo-N-ethyl-N-(2-pyridin-1-ium-1-ylethyl)aniline thiocyanate CAS Name: 4-(2-chloro-4-nitrophenyl)azo-N-ethyl-N-[2-(1-pyridin-1-iumyl)ethyl]aniline thiocyanate IUPAC Name: 4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethyl-N-(2-pyridin-1-ium-1-ylethyl)aniline thiocyanate Traditional Name: [4-(2-chloro-4-nitro-phenyl)azophenyl]-ethyl-(2-pyridin-1-ium-1-ylethyl)amine thiocyanate Formula: C22H21ClN6O2S MolecularWeight: 468.95914

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC[N+]1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=C(C=C(C=C3)[N+](=O)[O-])Cl.C(#N)[S-]

Isomeric SMILES

CCN(CC[N+]1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=C(C=C(C=C3)[N+](=O)[O-])Cl.C(#N)[S-]

InChI

InChI=1S/C21H21ClN5O2.CHNS/c1-2-26(15-14-25-12-4-3-5-13-25)18-8-6-17(7-9-18)23-24-21-11-10-19(27(28)29)16-20(21)22;2-1-3/h3-13,16H,2,14-15H2,1H3;3H/q+1;/p-1