4-bromanyl-N'-[(4S)-4-phenyl-1,4-dihydroquinazolin-3-ium-2-yl]benzenesulfonohydrazide

Systemtic Name: 4-bromanyl-N'-[(4S)-4-phenyl-1,4-dihydroquinazolin-3-ium-2-yl]benzenesulfonohydrazide Openeye Name: 4-bromo-N'-[(4S)-4-phenyl-1,4-dihydroquinazolin-3-ium-2-yl]benzenesulfonohydrazide CAS Name: 4-bromo-N'-[(4S)-4-phenyl-1,4-dihydroquinazolin-3-ium-2-yl]benzenesulfonohydrazide IUPAC Name: 4-bromo-N'-[(4S)-4-phenyl-1,4-dihydroquinazolin-3-ium-2-yl]benzenesulfonohydrazide Traditional Name: 4-bromo-N'-[(4S)-4-phenyl-1,4-dihydroquinazolin-3-ium-2-yl]benzenesulfonohydrazide Formula: C20H18BrN4O2S+ MolecularWeight: 458.35152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C3=CC=CC=C3NC(=[NH+]2)NNS(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)[C@H]2C3=CC=CC=C3NC(=[NH+]2)NNS(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H17BrN4O2S/c21-15-10-12-16(13-11-15)28(26,27)25-24-20-22-18-9-5-4-8-17(18)19(23-20)14-6-2-1-3-7-14/h1-13,19,25H,(H2,22,23,24)/p+1/t19-/m0/s1