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

Systemtic Name: 1-[[5-(4-ethylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[[5-(4-ethylphenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[[5-(4-ethylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[5-(4-ethylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[[5-(4-ethylphenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C23H28N5OS+ MolecularWeight: 422.56632

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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)NC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+]3CCC(CC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C23H27N5OS/c1-2-17-8-10-18(11-9-17)21-25-23(30)28(26-21)16-27-14-12-19(13-15-27)22(29)24-20-6-4-3-5-7-20/h3-11,19H,2,12-16H2,1H3,(H,24,29)(H,25,26,30)/p+1