2-azanyl-6-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-N-phenyl-pyridin-1-ium-3-carboxamide

Systemtic Name: 2-azanyl-6-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-N-phenyl-pyridin-1-ium-3-carboxamide Openeye Name: 2-amino-6-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanyl-5-cyano-N-phenyl-pyridin-1-ium-3-carboxamide CAS Name: 2-amino-6-[[2-(4-bromoanilino)-2-oxoethyl]thio]-5-cyano-N-phenyl-3-pyridin-1-iumcarboxamide IUPAC Name: 2-amino-6-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-5-cyano-N-phenylpyridin-1-ium-3-carboxamide Traditional Name: 2-amino-6-[[2-(4-bromoanilino)-2-keto-ethyl]thio]-5-cyano-N-phenyl-pyridin-1-ium-3-carboxamide Formula: C21H17BrN5O2S+ MolecularWeight: 483.36098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=C([NH+]=C(C(=C2)C#N)SCC(=O)NC3=CC=C(C=C3)Br)N

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=C([NH+]=C(C(=C2)C#N)SCC(=O)NC3=CC=C(C=C3)Br)N

InChI

InChI=1S/C21H16BrN5O2S/c22-14-6-8-16(9-7-14)25-18(28)12-30-21-13(11-23)10-17(19(24)27-21)20(29)26-15-4-2-1-3-5-15/h1-10H,12H2,(H2,24,27)(H,25,28)(H,26,29)/p+1