[azanyl-[(3-nitro-6-oxidanyl-1-phenyl-indol-2-yl)methylsulfanyl]methylidene]azanium bromide

Systemtic Name: [azanyl-[(3-nitro-6-oxidanyl-1-phenyl-indol-2-yl)methylsulfanyl]methylidene]azanium bromide Openeye Name: [amino-[(6-hydroxy-3-nitro-1-phenyl-indol-2-yl)methylsulfanyl]methylene]ammonium bromide CAS Name: [amino-[(6-hydroxy-3-nitro-1-phenyl-2-indolyl)methylthio]methylidene]ammonium bromide IUPAC Name: [amino-[(6-hydroxy-3-nitro-1-phenylindol-2-yl)methylsulfanyl]methylidene]azanium bromide Traditional Name: [amino-[(6-hydroxy-3-nitro-1-phenyl-indol-2-yl)methylthio]methylene]ammonium bromide Formula: C16H15BrN4O3S MolecularWeight: 423.2843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=CC(=C3)O)C(=C2CSC(=[NH2+])N)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=CC(=C3)O)C(=C2CSC(=[NH2+])N)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C16H14N4O3S.BrH/c17-16(18)24-9-14-15(20(22)23)12-7-6-11(21)8-13(12)19(14)10-4-2-1-3-5-10;/h1-8,21H,9H2,(H3,17,18);1H