4-bromanyl-2-[(3-cyano-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)iminomethyl]-6-nitro-phenolate

Systemtic Name: 4-bromanyl-2-[(3-cyano-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)iminomethyl]-6-nitro-phenolate Openeye Name: 4-bromo-2-[(3-cyano-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)iminomethyl]-6-nitro-phenolate CAS Name: 4-bromo-2-[(3-cyano-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)iminomethyl]-6-nitrophenolate IUPAC Name: 4-bromo-2-[(3-cyano-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)iminomethyl]-6-nitrophenolate Traditional Name: 4-bromo-2-[(3-cyano-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)iminomethyl]-6-nitro-phenolate Formula: C16H13BrN4O3S MolecularWeight: 421.26842

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=C(C1)SC(=C2C#N)N=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])Br

Isomeric SMILES

C[NH+]1CCC2=C(C1)SC(=C2C#N)N=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])Br

InChI

InChI=1S/C16H13BrN4O3S/c1-20-3-2-11-12(6-18)16(25-14(11)8-20)19-7-9-4-10(17)5-13(15(9)22)21(23)24/h4-5,7,22H,2-3,8H2,1H3