[1-[[5-(4-bromophenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperidin-1-ium-4-yl]-phenyl-methanone

Systemtic Name: [1-[[5-(4-bromophenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperidin-1-ium-4-yl]-phenyl-methanone Openeye Name: [1-[[5-(4-bromophenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperidin-1-ium-4-yl]-phenyl-methanone CAS Name: [1-[[5-(4-bromophenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-4-piperidin-1-iumyl]-phenylmethanone IUPAC Name: [1-[[5-(4-bromophenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperidin-1-ium-4-yl]-phenylmethanone Traditional Name: [1-[[5-(4-bromophenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperidin-1-ium-4-yl]-phenyl-methanone Formula: C21H22BrN4OS+ MolecularWeight: 458.39458

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)C2=CC=CC=C2)CN3C(=S)N=C(N3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1C[NH+](CCC1C(=O)C2=CC=CC=C2)CN3C(=S)N=C(N3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H21BrN4OS/c22-18-8-6-17(7-9-18)20-23-21(28)26(24-20)14-25-12-10-16(11-13-25)19(27)15-4-2-1-3-5-15/h1-9,16H,10-14H2,(H,23,24,28)/p+1