[[6-acetyloxy-1-(4-methoxyphenyl)-3-nitro-indol-2-yl]methylsulfanyl-phenylazanyl-methylidene]-phenyl-azanium bromide

Systemtic Name: [[6-acetyloxy-1-(4-methoxyphenyl)-3-nitro-indol-2-yl]methylsulfanyl-phenylazanyl-methylidene]-phenyl-azanium bromide Openeye Name: [[6-acetoxy-1-(4-methoxyphenyl)-3-nitro-indol-2-yl]methylsulfanyl-anilino-methylene]-phenyl-ammonium bromide CAS Name: [[[6-acetyloxy-1-(4-methoxyphenyl)-3-nitro-2-indolyl]methylthio]-anilinomethylidene]-phenylammonium bromide IUPAC Name: [[6-acetyloxy-1-(4-methoxyphenyl)-3-nitroindol-2-yl]methylsulfanyl-anilinomethylidene]-phenylazanium bromide Traditional Name: [[[6-acetoxy-1-(4-methoxyphenyl)-3-nitro-indol-2-yl]methylthio]-anilino-methylene]-phenyl-ammonium bromide Formula: C31H27BrN4O5S MolecularWeight: 647.53888

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(C=C1)C(=C(N2C3=CC=C(C=C3)OC)CSC(=[NH+]C4=CC=CC=C4)NC5=CC=CC=C5)[N+](=O)[O-].[Br-]

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1)C(=C(N2C3=CC=C(C=C3)OC)CSC(=[NH+]C4=CC=CC=C4)NC5=CC=CC=C5)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C31H26N4O5S.BrH/c1-21(36)40-26-17-18-27-28(19-26)34(24-13-15-25(39-2)16-14-24)29(30(27)35(37)38)20-41-31(32-22-9-5-3-6-10-22)33-23-11-7-4-8-12-23;/h3-19H,20H2,1-2H3,(H,32,33);1H