2-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[[4-methoxy-3-(pyridin-1-ium-2-ylsulfanylmethyl)phenyl]methylideneamino]ethanamide

Systemtic Name: 2-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[[4-methoxy-3-(pyridin-1-ium-2-ylsulfanylmethyl)phenyl]methylideneamino]ethanamide Openeye Name: 2-(4-bromo-3-nitro-pyrazol-1-yl)-N-[[4-methoxy-3-(pyridin-1-ium-2-ylsulfanylmethyl)phenyl]methyleneamino]acetamide CAS Name: 2-(4-bromo-3-nitro-1-pyrazolyl)-N-[[4-methoxy-3-[(2-pyridin-1-iumylthio)methyl]phenyl]methylideneamino]acetamide IUPAC Name: 2-(4-bromo-3-nitropyrazol-1-yl)-N-[[4-methoxy-3-(pyridin-1-ium-2-ylsulfanylmethyl)phenyl]methylideneamino]acetamide Traditional Name: 2-(4-bromo-3-nitro-pyrazol-1-yl)-N-[[4-methoxy-3-[(pyridin-1-ium-2-ylthio)methyl]benzylidene]amino]acetamide Formula: C19H18BrN6O4S+ MolecularWeight: 506.35302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NNC(=O)CN2C=C(C(=N2)[N+](=O)[O-])Br)CSC3=CC=CC=[NH+]3

Isomeric SMILES

COC1=C(C=C(C=C1)C=NNC(=O)CN2C=C(C(=N2)[N+](=O)[O-])Br)CSC3=CC=CC=[NH+]3

InChI

InChI=1S/C19H17BrN6O4S/c1-30-16-6-5-13(8-14(16)12-31-18-4-2-3-7-21-18)9-22-23-17(27)11-25-10-15(20)19(24-25)26(28)29/h2-10H,11-12H2,1H3,(H,23,27)/p+1