N-ethyl-5-[3-(4-nitrophenyl)benzo[e]indazol-2-ium-2-yl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine

Systemtic Name: N-ethyl-5-[3-(4-nitrophenyl)benzo[e]indazol-2-ium-2-yl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine Openeye Name: N-ethyl-N-isopropyl-5-[3-(4-nitrophenyl)benzo[e]indazol-2-ium-2-yl]-1,3,4-thiadiazol-2-amine CAS Name: N-ethyl-5-[3-(4-nitrophenyl)-2-benzo[e]indazol-2-iumyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine IUPAC Name: N-ethyl-5-[3-(4-nitrophenyl)benzo[e]indazol-2-ium-2-yl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine Traditional Name: ethyl-isopropyl-[5-[3-(4-nitrophenyl)benz[e]indazol-2-ium-2-yl]-1,3,4-thiadiazol-2-yl]amine Formula: C24H23N6O2S+ MolecularWeight: 459.54342

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NN=C(S1)[N+]2=CC3=C(N2C4=CC=C(C=C4)[N+](=O)[O-])C=CC5=CC=CC=C53)C(C)C

Isomeric SMILES

CCN(C1=NN=C(S1)[N+]2=CC3=C(N2C4=CC=C(C=C4)[N+](=O)[O-])C=CC5=CC=CC=C53)C(C)C

InChI

InChI=1S/C24H23N6O2S/c1-4-27(16(2)3)23-25-26-24(33-23)28-15-21-20-8-6-5-7-17(20)9-14-22(21)29(28)18-10-12-19(13-11-18)30(31)32/h5-16H,4H2,1-3H3/q+1