N-(10-prop-2-ynyl-7,8-dihydroacridin-10-ium-2-yl)-3-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)benzamide bromide

Systemtic Name: N-(10-prop-2-ynyl-7,8-dihydroacridin-10-ium-2-yl)-3-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)benzamide bromide Openeye Name: N-(10-prop-2-ynyl-7,8-dihydroacridin-10-ium-2-yl)-3-(5-thioxo-2H-tetrazol-1-yl)benzamide bromide CAS Name: N-(10-prop-2-ynyl-7,8-dihydroacridin-10-ium-2-yl)-3-(5-sulfanylidene-2H-tetrazol-1-yl)benzamide bromide IUPAC Name: N-(10-prop-2-ynyl-7,8-dihydroacridin-10-ium-2-yl)-3-(5-sulfanylidene-2H-tetrazol-1-yl)benzamide bromide Traditional Name: N-(10-propargyl-7,8-dihydroacridin-10-ium-2-yl)-3-(5-thioxo-2H-tetrazol-1-yl)benzamide bromide Formula: C24H19BrN6OS MolecularWeight: 519.41626

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Descriptors Computed from Structure

Canonical SMILES:

C#CC[N+]1=C2C=CC(=CC2=CC3=C1C=CCC3)NC(=O)C4=CC(=CC=C4)N5C(=S)N=NN5.[Br-]

Isomeric SMILES

C#CC[N+]1=C2C=CC(=CC2=CC3=C1C=CCC3)NC(=O)C4=CC(=CC=C4)N5C(=S)N=NN5.[Br-]

InChI

InChI=1S/C24H18N6OS.BrH/c1-2-12-29-21-9-4-3-6-16(21)13-18-14-19(10-11-22(18)29)25-23(31)17-7-5-8-20(15-17)30-24(32)26-27-28-30;/h1,4-5,7-11,13-15H,3,6,12H2,(H-,25,26,28,31,32);1H