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

Systemtic Name: 1-[[3-(4-chlorophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[3-(4-chlorophenyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[3-(4-chlorophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[3-(4-chlorophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[[3-(4-chlorophenyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C21H23ClN5OS+ MolecularWeight: 428.95822

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H22ClN5OS/c22-17-8-6-16(7-9-17)20-24-26(14-25-12-10-15(11-13-25)19(23)28)21(29)27(20)18-4-2-1-3-5-18/h1-9,15H,10-14H2,(H2,23,28)/p+1