2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-ylmethyl)-4,5-diphenyl-1,2,4-triazole-3-thione

Systemtic Name: 2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-ylmethyl)-4,5-diphenyl-1,2,4-triazole-3-thione Openeye Name: 2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-ylmethyl)-4,5-diphenyl-1,2,4-triazole-3-thione CAS Name: 2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-ylmethyl)-4,5-diphenyl-1,2,4-triazole-3-thione IUPAC Name: 2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-ylmethyl)-4,5-diphenyl-1,2,4-triazole-3-thione Traditional Name: 2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-ylmethyl)-4,5-diphenyl-1,2,4-triazole-3-thione Formula: C22H25N4O2S+ MolecularWeight: 409.5245

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC12OCCO2)CN3C(=S)N(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC12OCCO2)CN3C(=S)N(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C22H24N4O2S/c29-21-25(17-24-13-11-22(12-14-24)27-15-16-28-22)23-20(18-7-3-1-4-8-18)26(21)19-9-5-2-6-10-19/h1-10H,11-17H2/p+1