1-[[3-(furan-2-yl)-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N-pyridin-4-yl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[[3-(furan-2-yl)-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N-pyridin-4-yl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[[4-benzyl-3-(2-furyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-N-(4-pyridyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[[3-(2-furanyl)-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N-pyridin-4-yl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[4-benzyl-3-(furan-2-yl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N-pyridin-4-ylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[[4-benzyl-3-(2-furyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-N-(4-pyridyl)piperidin-1-ium-4-carboxamide Formula: C25H27N6O2S+ MolecularWeight: 475.58588

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=NC=C2)CN3C(=S)N(C(=N3)C4=CC=CO4)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=NC=C2)CN3C(=S)N(C(=N3)C4=CC=CO4)CC5=CC=CC=C5

InChI

InChI=1S/C25H26N6O2S/c32-24(27-21-8-12-26-13-9-21)20-10-14-29(15-11-20)18-31-25(34)30(17-19-5-2-1-3-6-19)23(28-31)22-7-4-16-33-22/h1-9,12-13,16,20H,10-11,14-15,17-18H2,(H,26,27,32)/p+1