N-[1-[[4-cyclohexyl-3-(furan-2-yl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-yl]benzamide

Systemtic Name: N-[1-[[4-cyclohexyl-3-(furan-2-yl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-yl]benzamide Openeye Name: N-[1-[[4-cyclohexyl-3-(2-furyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-yl]benzamide CAS Name: N-[1-[[4-cyclohexyl-3-(2-furanyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: N-[1-[[4-cyclohexyl-3-(furan-2-yl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-yl]benzamide Traditional Name: N-[1-[[4-cyclohexyl-3-(2-furyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-yl]benzamide Formula: C25H32N5O2S+ MolecularWeight: 466.61888

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN(C2=S)C[NH+]3CCC(CC3)NC(=O)C4=CC=CC=C4)C5=CC=CO5

Isomeric SMILES

C1CCC(CC1)N2C(=NN(C2=S)C[NH+]3CCC(CC3)NC(=O)C4=CC=CC=C4)C5=CC=CO5

InChI

InChI=1S/C25H31N5O2S/c31-24(19-8-3-1-4-9-19)26-20-13-15-28(16-14-20)18-29-25(33)30(21-10-5-2-6-11-21)23(27-29)22-12-7-17-32-22/h1,3-4,7-9,12,17,20-21H,2,5-6,10-11,13-16,18H2,(H,26,31)/p+1