5-(5-bromanylfuran-2-yl)-4-(phenylmethyl)-2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 5-(5-bromanylfuran-2-yl)-4-(phenylmethyl)-2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-5-(5-bromo-2-furyl)-2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-(5-bromo-2-furanyl)-4-(phenylmethyl)-2-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-5-(5-bromofuran-2-yl)-2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-5-(5-bromo-2-furyl)-2-[(4-pyridin-1-ium-2-ylpiperazino)methyl]-1,2,4-triazole-3-thione Formula: C23H24BrN6OS+ MolecularWeight: 512.44526

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=S)N(C(=N2)C3=CC=C(O3)Br)CC4=CC=CC=C4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CN(CCN1CN2C(=S)N(C(=N2)C3=CC=C(O3)Br)CC4=CC=CC=C4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C23H23BrN6OS/c24-20-10-9-19(31-20)22-26-30(23(32)29(22)16-18-6-2-1-3-7-18)17-27-12-14-28(15-13-27)21-8-4-5-11-25-21/h1-11H,12-17H2/p+1