2-[[3-(1H-benzimidazol-2-ylsulfanyl)-4-nitro-phenyl]amino]ethylazanium

Systemtic Name: 2-[[3-(1H-benzimidazol-2-ylsulfanyl)-4-nitro-phenyl]amino]ethylazanium Openeye Name: 2-[3-(1H-benzimidazol-2-ylsulfanyl)-4-nitro-anilino]ethylammonium CAS Name: 2-[3-(1H-benzimidazol-2-ylthio)-4-nitroanilino]ethylammonium IUPAC Name: 2-[3-(1H-benzimidazol-2-ylsulfanyl)-4-nitroanilino]ethylazanium Traditional Name: 2-[3-(1H-benzimidazol-2-ylthio)-4-nitro-anilino]ethylammonium Formula: C15H16N5O2S+ MolecularWeight: 330.38484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SC3=C(C=CC(=C3)NCC[NH3+])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SC3=C(C=CC(=C3)NCC[NH3+])[N+](=O)[O-]

InChI

InChI=1S/C15H15N5O2S/c16-7-8-17-10-5-6-13(20(21)22)14(9-10)23-15-18-11-3-1-2-4-12(11)19-15/h1-6,9,17H,7-8,16H2,(H,18,19)/p+1