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

Systemtic Name: 1-[(3,4-diphenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3,4-diphenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(3,4-diphenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3,4-diphenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(3,4-diphenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C21H24N5OS+ MolecularWeight: 394.51316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5OS/c22-19(27)16-11-13-24(14-12-16)15-25-21(28)26(18-9-5-2-6-10-18)20(23-25)17-7-3-1-4-8-17/h1-10,16H,11-15H2,(H2,22,27)/p+1