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

Systemtic Name: [1-[[5-(4-ethylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperidin-1-ium-4-yl]-phenyl-methanone Openeye Name: [1-[[5-(4-ethylphenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperidin-1-ium-4-yl]-phenyl-methanone CAS Name: [1-[[5-(4-ethylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-4-piperidin-1-iumyl]-phenylmethanone IUPAC Name: [1-[[5-(4-ethylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperidin-1-ium-4-yl]-phenylmethanone Traditional Name: [1-[[5-(4-ethylphenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperidin-1-ium-4-yl]-phenyl-methanone Formula: C23H27N4OS+ MolecularWeight: 407.55168

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+]3CCC(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+]3CCC(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4OS/c1-2-17-8-10-20(11-9-17)22-24-23(29)27(25-22)16-26-14-12-19(13-15-26)21(28)18-6-4-3-5-7-18/h3-11,19H,2,12-16H2,1H3,(H,24,25,29)/p+1