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

Systemtic Name: 2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-ylmethyl)-4-phenyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-ylmethyl)-4-phenyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-ylmethyl)-4-phenyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-ylmethyl)-4-phenyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-ylmethyl)-4-phenyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C21H24N5O2S+ MolecularWeight: 410.51256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O2S/c29-20-25(16-24-12-8-21(9-13-24)27-14-15-28-21)23-19(17-6-10-22-11-7-17)26(20)18-4-2-1-3-5-18/h1-7,10-11H,8-9,12-16H2/p+1