2-[4-[phenyl(phenylazanyl)methylidene]azaniumylphenyl]sulfanylethyl-di(propan-2-yl)azanium dibromide

Systemtic Name: 2-[4-[phenyl(phenylazanyl)methylidene]azaniumylphenyl]sulfanylethyl-di(propan-2-yl)azanium dibromide Openeye Name: 2-[4-[anilino(phenyl)methylene]ammoniophenyl]sulfanylethyl-diisopropyl-ammonium dibromide CAS Name: 2-[[4-[anilino(phenyl)methylidene]ammoniophenyl]thio]ethyl-di(propan-2-yl)ammonium dibromide IUPAC Name: 2-[4-[anilino(phenyl)methylidene]azaniumylphenyl]sulfanylethyl-di(propan-2-yl)azanium dibromide Traditional Name: 2-[[4-[anilino(phenyl)methylene]ammoniophenyl]thio]ethyl-diisopropyl-ammonium dibromide Formula: C27H35Br2N3S MolecularWeight: 593.4599

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCSC1=CC=C(C=C1)[NH+]=C(C2=CC=CC=C2)NC3=CC=CC=C3)C(C)C.[Br-].[Br-]

Isomeric SMILES

CC(C)[NH+](CCSC1=CC=C(C=C1)/[NH+]=C(/C2=CC=CC=C2)\NC3=CC=CC=C3)C(C)C.[Br-].[Br-]

InChI

InChI=1S/C27H33N3S.2BrH/c1-21(2)30(22(3)4)19-20-31-26-17-15-25(16-18-26)29-27(23-11-7-5-8-12-23)28-24-13-9-6-10-14-24;;/h5-18,21-22H,19-20H2,1-4H3,(H,28,29);2*1H