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

Systemtic Name: [1-[[4-ethyl-3-(2-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-yl]-phenyl-methanone Openeye Name: [1-[[4-ethyl-3-(2-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-yl]-phenyl-methanone CAS Name: [1-[[4-ethyl-3-(2-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidin-1-iumyl]-phenylmethanone IUPAC Name: [1-[[4-ethyl-3-(2-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-yl]-phenylmethanone Traditional Name: [1-[[4-ethyl-3-(2-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-yl]-phenyl-methanone Formula: C24H29N4O2S+ MolecularWeight: 437.57766

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCC(CC2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4OC

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCC(CC2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4OC

InChI

InChI=1S/C24H28N4O2S/c1-3-27-23(20-11-7-8-12-21(20)30-2)25-28(24(27)31)17-26-15-13-19(14-16-26)22(29)18-9-5-4-6-10-18/h4-12,19H,3,13-17H2,1-2H3/p+1